Chemical Properties of Butanoic acid, methyl ester (CAS 623-42-7)

InChI

InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3

InChI Key

UUIQMZJEGPQKFD-UHFFFAOYSA-N

Formula

C5H10O2

SMILES

CCCC(=O)OC

Molecular Weight¹

102.13

CAS

623-42-7

Other Names

• Methyl ester of butanoic acid
• Methyl n-butanoate
• NSC 9380
• Propyl butyrate
• UN 1237
• butyric acid, methyl ester
• methyl butanoate
• methyl butyrate
• methyl n-butyrate
• n-Butyric acid methyl ester
• n-C3H7COOCH3

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• ε_r : Dielectric Constant (Relative permittivity).
• T_flash,cc : Flash Point (Closed Cup Method) (K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• NFPA Safety : NFPA Safety Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.3800; 0.3820]
ω	0.3820		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.3800		KDB
PAff	836.40	kJ/mol	NIST
BasG	805.40	kJ/mol	NIST
ΔcH°liquid	-2900.00	kJ/mol	NIST
μ	1.70	debye	KDB
εr	5.60		NCMS SOLV-DB
Tflash,cc	283.15	K	NCMS SOLV-DB
ΔfG°	-319.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-452.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.36	kJ/mol	Phase equilibria and the thermodynamic properties of methyl and ethyl esters of carboxylic acids. 1. Methyl n-butanoate and ethyl propanoate
ΔvapH°	[34.33; 40.60]	kJ/mol
ΔvapH°	Outlier 34.33	kJ/mol	NCMS SOLV-DB
ΔvapH°	39.33	kJ/mol	NIST
ΔvapH°	40.30 ± 0.50	kJ/mol	NIST
ΔvapH°	40.60 ± 0.10	kJ/mol	NIST
ΔvapH°	40.60 ± 0.20	kJ/mol	NIST
ΔvapH°	39.30	kJ/mol	NIST
ΔvapH°	39.00 ± 0.40	kJ/mol	NIST
ΔvapH°	40.40	kJ/mol	NIST
ΔvapH°	40.10 ± 0.40	kJ/mol	NIST
ΔvapH°	39.80 ± 0.30	kJ/mol	NIST
ΔvapH°	39.28 ± 0.22	kJ/mol	NIST
ΔvapH°	39.30 ± 0.20	kJ/mol	NIST
IE	[10.07; 10.15]	eV
IE	10.07 ± 0.03	eV	NIST
IE	10.15	eV	NIST
log10WS	[-1.92; -0.82]
log10WS	-0.82		Aq. Solubility Prediction
log10WS	-1.92		Estimated Solubility
logPoct/wat	1.200		NCMS SOLV-DB
McVol	88.750	ml/mol	McGowan Calculated Property
NFPA Fire	3		NCMS SOLV-DB
NFPA Health	2		NCMS SOLV-DB
NFPA Safety	0		NCMS SOLV-DB
Pc	[3470.00; 3650.00]	kPa
Pc	3470.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Pc	3475.45	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	3470.00	kPa	KDB
Pc	3473.00 ± 81.06	kPa	NIST
Pc	3470.40 ± 40.00	kPa	NIST
Pc	Outlier 3650.00 ± 202.65	kPa	NIST
ρc	[291.08; 300.27]	kg/m3
ρc	300.17 ± 10.01	kg/m3	NIST
ρc	300.27 ± 4.09	kg/m3	NIST
ρc	291.08 ± 10.01	kg/m3	NIST
Inp	[676.00; 745.00]
Inp	705.60		NIST
Inp	719.90		NIST
Inp	719.10		NIST
Inp	718.90		NIST
Inp	697.00		NIST
Inp	723.00		NIST
Inp	706.00		NIST
Inp	710.00		NIST
Inp	710.00		NIST
Inp	709.00		NIST
Inp	717.00		NIST
Inp	706.00		NIST
Inp	711.00		NIST
Inp	702.00		NIST
Inp	715.00		NIST
Inp	714.00		NIST
Inp	704.00		NIST
Inp	714.00		NIST
Inp	705.00		NIST
Inp	708.00		NIST
Inp	705.00		NIST
Inp	708.00		NIST
Inp	705.00		NIST
Inp	710.00		NIST
Inp	702.00		NIST
Inp	710.00		NIST
Inp	710.00		NIST
Inp	717.00		NIST
Inp	727.00		NIST
Inp	724.00		NIST
Inp	724.00		NIST
Inp	723.00		NIST
Inp	Outlier 740.00		NIST
Inp	Outlier 690.00		NIST
Inp	723.00		NIST
Inp	730.00		NIST
Inp	696.00		NIST
Inp	724.00		NIST
Inp	707.00		NIST
Inp	696.00		NIST
Inp	696.00		NIST
Inp	719.00		NIST
Inp	720.00		NIST
Inp	719.00		NIST
Inp	720.00		NIST
Inp	709.50		NIST
Inp	707.20		NIST
Inp	708.00		NIST
Inp	720.00		NIST
Inp	720.60		NIST
Inp	728.00		NIST
Inp	735.00		NIST
Inp	731.00		NIST
Inp	717.00		NIST
Inp	Outlier 737.00		NIST
Inp	724.00		NIST
Inp	704.00		NIST
Inp	720.00		NIST
Inp	711.00		NIST
Inp	716.00		NIST
Inp	706.00		NIST
Inp	716.00		NIST
Inp	Outlier 676.00		NIST
Inp	721.00		NIST
Inp	728.00		NIST
Inp	723.00		NIST
Inp	705.00		NIST
Inp	698.00		NIST
Inp	724.00		NIST
Inp	723.00		NIST
Inp	710.00		NIST
Inp	710.00		NIST
Inp	710.00		NIST
Inp	714.00		NIST
Inp	722.00		NIST
Inp	724.00		NIST
Inp	706.00		NIST
Inp	722.00		NIST
Inp	712.00		NIST
Inp	705.00		NIST
Inp	705.00		NIST
Inp	703.00		NIST
Inp	706.00		NIST
Inp	705.00		NIST
Inp	705.00		NIST
Inp	709.00		NIST
Inp	710.00		NIST
Inp	706.00		NIST
Inp	Outlier 745.00		NIST
Inp	712.00		NIST
Inp	Outlier 745.00		NIST
Inp	729.00		NIST
Inp	722.00		NIST
Inp	725.00		NIST
Inp	724.00		NIST
Inp	702.00		NIST
Inp	723.00		NIST
Inp	702.00		NIST
Inp	717.00		NIST
Inp	705.00		NIST
Inp	725.00		NIST
Inp	715.00		NIST
Inp	723.00		NIST
Inp	723.00		NIST
Inp	726.00		NIST
Inp	723.00		NIST
Inp	720.00		NIST
Inp	705.00		NIST
Inp	706.00		NIST
Inp	704.00		NIST
Inp	706.00		NIST
Inp	706.00		NIST
Inp	723.00		NIST
Inp	702.00		NIST
Inp	704.00		NIST
Inp	705.00		NIST
Inp	723.00		NIST
Inp	705.60		NIST
Inp	723.00		NIST
Inp	717.00		NIST
Inp	714.00		NIST
Inp	720.60		NIST
Inp	Outlier 737.00		NIST
Inp	721.00		NIST
Inp	724.00		NIST
Inp	712.00		NIST
Inp	705.00		NIST
Inp	716.00		NIST
Inp	710.00		NIST
Inp	730.00		NIST
Inp	696.00		NIST
Inp	709.50		NIST
Inp	702.00		NIST
Inp	Outlier 745.00		NIST
Inp	725.00		NIST
Inp	706.00		NIST
Ip	[943.00; 1026.00]
Ip	1004.00		NIST
Ip	975.00		NIST
Ip	985.00		NIST
Ip	982.00		NIST
Ip	997.00		NIST
Ip	1008.00		NIST
Ip	980.00		NIST
Ip	975.00		NIST
Ip	990.00		NIST
Ip	992.00		NIST
Ip	981.00		NIST
Ip	993.00		NIST
Ip	980.00		NIST
Ip	998.00		NIST
Ip	976.00		NIST
Ip	989.00		NIST
Ip	953.00		NIST
Ip	993.00		NIST
Ip	955.00		NIST
Ip	958.00		NIST
Ip	955.00		NIST
Ip	979.00		NIST
Ip	993.00		NIST
Ip	985.00		NIST
Ip	980.00		NIST
Ip	969.00		NIST
Ip	969.00		NIST
Ip	978.00		NIST
Ip	984.00		NIST
Ip	961.00		NIST
Ip	967.00		NIST
Ip	977.00		NIST
Ip	971.00		NIST
Ip	982.00		NIST
Ip	987.00		NIST
Ip	989.00		NIST
Ip	995.00		NIST
Ip	973.00		NIST
Ip	1001.00		NIST
Ip	965.00		NIST
Ip	971.00		NIST
Ip	1000.00		NIST
Ip	Outlier 1026.00		NIST
Ip	983.00		NIST
Ip	981.00		NIST
Ip	971.00		NIST
Ip	Outlier 943.00		NIST
Ip	986.00		NIST
Ip	982.00		NIST
Ip	981.00		NIST
Ip	992.00		NIST
Ip	989.00		NIST
Ip	1000.00		NIST
Ip	983.00		NIST
Ip	983.00		NIST
Ip	993.00		NIST
Ip	Outlier 945.00		NIST
Ip	985.00		NIST
Ip	975.00		NIST
Ip	982.00		NIST
Ip	984.00		NIST
Ip	1004.00		NIST
Ip	955.00		NIST
Ip	994.00		NIST
Ip	981.00		NIST
Ip	983.00		NIST
Ip	975.00		NIST
Ip	974.00		NIST
Ip	975.00		NIST
Ip	975.00		NIST
Ip	1000.00		NIST
Ip	985.00		NIST
Ip	980.00		NIST
Ip	982.00		NIST
Ip	1001.00		NIST
Ip	992.00		NIST
Ip	976.00		NIST
Ip	958.00		NIST
Ip	980.00		NIST
Ip	961.00		NIST
Tboil	[369.05; 377.25]	K
Tboil	375.53	K	Isobaric Vapor-Liquid Equilibria and Excess Properties for the Binary Systems of Methyl Esters + Heptane
Tboil	375.90	K	KDB
Tboil	375.15	K	NCMS SOLV-DB
Tboil	375.50	K	NIST
Tboil	374.00	K	NIST
Tboil	375.90	K	NIST
Tboil	375.15 ± 2.00	K	NIST
Tboil	373.65 ± 1.00	K	NIST
Tboil	377.25 ± 1.00	K	NIST
Tboil	375.65 ± 1.00	K	NIST
Tboil	375.00 ± 2.00	K	NIST
Tboil	375.80 ± 0.50	K	NIST
Tboil	375.80 ± 0.50	K	NIST
Tboil	375.80 ± 1.00	K	NIST
Tboil	374.75 ± 1.00	K	NIST
Tboil	375.90 ± 1.00	K	NIST
Tboil	375.95 ± 1.00	K	NIST
Tboil	375.00 ± 2.00	K	NIST
Tboil	375.65 ± 1.00	K	NIST
Tboil	375.90 ± 1.00	K	NIST
Tboil	375.50 ± 1.50	K	NIST
Tboil	375.65 ± 1.00	K	NIST
Tboil	376.65 ± 1.00	K	NIST
Tboil	Outlier 369.05 ± 1.00	K	NIST
Tboil	Outlier 369.05 ± 1.00	K	NIST
Tc	[544.70; 554.50]	K
Tc	554.50	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc	554.40	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	554.40	K	KDB
Tc	554.50 ± 1.00	K	NIST
Tc	554.50 ± 1.00	K	NIST
Tc	551.20 ± 3.00	K	NIST
Tc	Outlier 544.70 ± 8.00	K	NIST
Tfus	[184.55; 188.15]	K
Tfus	187.35	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	187.30	K	KDB
Tfus	184.55	K	Aq. Solubility Prediction
Tfus	188.15	K	NCMS SOLV-DB
Vc	[0.340; 0.340]	m3/kmol
Vc	0.340	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Vc	0.340	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.340	m3/kmol	KDB
Zc	[0.2559460; 0.2560000]
Zc	0.2560000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Zc	0.2559460		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[198.16; 200.80]	J/mol×K	[298.15; 298.15]
Cp,liquid	198.16	J/mol×K	298.15	NIST
Cp,liquid	200.80	J/mol×K	298.15	NIST
η	0.0005500	Pa×s	298.15	NCMS SOLV-DB
ΔvapH	[33.79; 42.80]	kJ/mol	[284.00; 460.00]
ΔvapH	41.10 ± 0.20	kJ/mol	284.00	NIST
ΔvapH	42.80	kJ/mol	310.50	NIST
ΔvapH	38.40	kJ/mol	338.50	NIST
ΔvapH	36.90	kJ/mol	350.00	NIST
ΔvapH	36.40	kJ/mol	366.50	NIST
ΔvapH	33.79	kJ/mol	375.90	NIST
ΔvapH	34.20	kJ/mol	460.00	NIST
Pvap	[1.06; 5.70]	kPa	[274.30; 303.20]
Pvap	1.06	kPa	274.30	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	1.29	kPa	276.40	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	1.40	kPa	278.20	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	1.49	kPa	279.40	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	1.63	kPa	281.30	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	1.71	kPa	281.60	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	1.85	kPa	283.40	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	1.96	kPa	283.70	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	2.10	kPa	285.50	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	2.24	kPa	285.80	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	2.47	kPa	288.30	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	2.52	kPa	288.30	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	2.54	kPa	288.30	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	2.93	kPa	290.30	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	3.09	kPa	291.20	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	2.94	kPa	291.20	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	3.21	kPa	292.20	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	3.38	kPa	293.20	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	3.72	kPa	294.30	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	4.07	kPa	295.30	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	4.48	kPa	298.10	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	5.22	kPa	300.20	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	5.30	kPa	301.20	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	5.33	kPa	303.15	NCMS SOLV-DB
Pvap	5.70	kPa	303.20	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
n0	[1.37530; 1.38600]		[298.15; 318.15]
n0	1.38502		298.15	Excess molar volumes and excess molar enthalpies for binary mixtures of 1,2-dichloropropane with methyl ethanoate, methyl propanoate, and methyl butanoate at T = 298.15K
n0	1.38600		298.15	Thermodynamic study of (alkyl esters + alpha,omega-alkyl dihalides) IV: Hex and Vex for 25 binary mixtures {xC(u-1)H(2u-1)CO2CH3 + (1-x)alpha,omega-BrCH2(CH2)(v-2)CH2Br}, where u = 1 to 5, alpha = 1 and v = omega = 2 to 6
n0	1.38450		298.15	A Study on Alkane + Ester + Ester Systems. Physicochemical Behavior of Binaries and Ternaries of Octane or Iso-octane with Methyl Esters (Ethanoate, Butanoate, Pentanoate)
n0	1.38470		298.15	Vapor-Liquid Equilibrium Data for the Binary Methyl Esters (Butyrate, Pentanoate, and Hexanoate) (1) + Acetonitrile (2) Systems at 93.32 kPa
n0	1.38470		298.15	Vapor-Liquid Equilibrium Data for the Binary Methyl Esters (Butyrate, Pentanoate, and Hexanoate) (1) + Propanenitrile (2) Systems at 93.32 kPa
n0	1.38510		298.15	Measurements and Correlations of the Isobaric Vapor Liquid Equilibria of Binary Mixtures and Excess Properties for Mixtures Containing an Alkyl (Methyl, Ethyl) Butanoate with an Alkane (Heptane, Nonane) at 101.3 kPa
n0	1.38600		298.15	NCMS SOLV-DB
n0	1.37530		318.15	Excess Properties and Isobaric Vapor-Liquid Equilibria for Binary Mixtures of Methyl Esters + tert-Butanol
ρl	[741.06; 903.34]	kg/m3	[288.15; 423.15]
ρl	903.34	kg/m3	288.15	Thermal and Volumetric Properties of Four Aqueous Aroma Compounds at Infinite Dilution
ρl	898.00	kg/m3	293.00	KDB
ρl	898.05	kg/m3	293.15	Experimental Investigation of the Thermophysical Properties of the Bio-Aviation Fuel Surrogates: Binary and Ternary Mixtures of n-Dodecane, Methyl Butyrate, and Methyl Decanoate
ρl	897.88	kg/m3	293.15	Thermal and Volumetric Properties of Four Aqueous Aroma Compounds at Infinite Dilution
ρl	892.38	kg/m3	298.15	Thermal and Volumetric Properties of Four Aqueous Aroma Compounds at Infinite Dilution
ρl	892.62	kg/m3	298.15	Densities and interfacial tensions for fatty acid methyl esters (from methyl formate to methyl heptanoate) + water demixed mixtures at atmospheric pressure conditions
ρl	886.90	kg/m3	303.15	Experimental Investigation of the Thermophysical Properties of the Bio-Aviation Fuel Surrogates: Binary and Ternary Mixtures of n-Dodecane, Methyl Butyrate, and Methyl Decanoate
ρl	886.86	kg/m3	303.15	Thermal and Volumetric Properties of Four Aqueous Aroma Compounds at Infinite Dilution
ρl	881.30	kg/m3	308.15	Thermal and Volumetric Properties of Four Aqueous Aroma Compounds at Infinite Dilution
ρl	875.74	kg/m3	313.15	Thermal and Volumetric Properties of Four Aqueous Aroma Compounds at Infinite Dilution
ρl	875.70	kg/m3	313.15	Experimental Investigation of the Thermophysical Properties of the Bio-Aviation Fuel Surrogates: Binary and Ternary Mixtures of n-Dodecane, Methyl Butyrate, and Methyl Decanoate
ρl	870.14	kg/m3	318.15	Thermal and Volumetric Properties of Four Aqueous Aroma Compounds at Infinite Dilution
ρl	863.41	kg/m3	323.15	Experimental Investigation of the Thermophysical Properties of the Bio-Aviation Fuel Surrogates: Binary and Ternary Mixtures of n-Dodecane, Methyl Butyrate, and Methyl Decanoate
ρl	853.04	kg/m3	333.15	Experimental Investigation of the Thermophysical Properties of the Bio-Aviation Fuel Surrogates: Binary and Ternary Mixtures of n-Dodecane, Methyl Butyrate, and Methyl Decanoate
ρl	841.50	kg/m3	343.15	Experimental Investigation of the Thermophysical Properties of the Bio-Aviation Fuel Surrogates: Binary and Ternary Mixtures of n-Dodecane, Methyl Butyrate, and Methyl Decanoate
ρl	829.80	kg/m3	353.15	Experimental Investigation of the Thermophysical Properties of the Bio-Aviation Fuel Surrogates: Binary and Ternary Mixtures of n-Dodecane, Methyl Butyrate, and Methyl Decanoate
ρl	817.71	kg/m3	363.15	Experimental Investigation of the Thermophysical Properties of the Bio-Aviation Fuel Surrogates: Binary and Ternary Mixtures of n-Dodecane, Methyl Butyrate, and Methyl Decanoate
ρl	806.03	kg/m3	373.15	Experimental Investigation of the Thermophysical Properties of the Bio-Aviation Fuel Surrogates: Binary and Ternary Mixtures of n-Dodecane, Methyl Butyrate, and Methyl Decanoate
ρl	793.68	kg/m3	383.15	Experimental Investigation of the Thermophysical Properties of the Bio-Aviation Fuel Surrogates: Binary and Ternary Mixtures of n-Dodecane, Methyl Butyrate, and Methyl Decanoate
ρl	780.99	kg/m3	393.15	Experimental Investigation of the Thermophysical Properties of the Bio-Aviation Fuel Surrogates: Binary and Ternary Mixtures of n-Dodecane, Methyl Butyrate, and Methyl Decanoate
ρl	767.63	kg/m3	403.15	Experimental Investigation of the Thermophysical Properties of the Bio-Aviation Fuel Surrogates: Binary and Ternary Mixtures of n-Dodecane, Methyl Butyrate, and Methyl Decanoate
ρl	754.74	kg/m3	413.15	Experimental Investigation of the Thermophysical Properties of the Bio-Aviation Fuel Surrogates: Binary and Ternary Mixtures of n-Dodecane, Methyl Butyrate, and Methyl Decanoate
ρl	741.06	kg/m3	423.15	Experimental Investigation of the Thermophysical Properties of the Bio-Aviation Fuel Surrogates: Binary and Ternary Mixtures of n-Dodecane, Methyl Butyrate, and Methyl Decanoate
γ	0.02	N/m	298.15	NCMS SOLV-DB
λliquid	[0.12; 0.15]	W/m×K	[283.34; 358.18]
λliquid	0.15	W/m×K	283.34	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.14	W/m×K	288.30	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.14	W/m×K	293.39	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.14	W/m×K	297.41	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.14	W/m×K	298.44	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.14	W/m×K	301.30	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.14	W/m×K	305.42	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.14	W/m×K	309.31	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.14	W/m×K	313.29	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.13	W/m×K	318.38	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.13	W/m×K	323.35	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.13	W/m×K	328.55	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.13	W/m×K	333.25	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.13	W/m×K	338.40	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.12	W/m×K	343.25	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.12	W/m×K	348.24	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.12	W/m×K	353.35	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.12	W/m×K	358.18	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel

Datasets

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
293.15	100.00	898.42
293.15	1000.00	898.68
293.15	3000.00	900.65
293.15	5000.00	902.15
293.15	10000.00	906.55
293.15	15000.00	910.63
293.15	20000.00	914.51
293.15	25000.00	918.33
293.15	30000.00	921.95
293.15	35000.00	925.38
293.15	40000.00	928.67
293.15	50000.00	935.38
293.15	60000.00	941.12
303.15	100.00	886.68
303.15	1000.00	887.75
303.15	3000.00	889.67
303.15	5000.00	891.54
303.15	10000.00	895.99
303.15	15000.00	900.35
303.15	20000.00	904.45
303.15	25000.00	908.4
303.15	30000.00	912.18
303.15	35000.00	915.86
303.15	40000.00	919.34
303.15	50000.00	926.18
303.15	60000.00	932.54
313.15	100.00	875.83
313.15	1000.00	876.3
313.15	3000.00	878.42
313.15	5000.00	880.45
313.15	10000.00	885.34
313.15	15000.00	889.92
313.15	20000.00	894.25
313.15	25000.00	898.53
313.15	30000.00	902.47
313.15	35000.00	906.46
313.15	40000.00	910.02
313.15	50000.00	917.24
313.15	60000.00	923.73
323.15	100.00	864.35
323.15	1000.00	865.42
323.15	3000.00	867.62
323.15	5000.00	869.76
323.15	10000.00	875.02
323.15	15000.00	879.93
323.15	20000.00	884.63
323.15	25000.00	888.92
323.15	30000.00	893.19
323.15	35000.00	897.21
323.15	40000.00	901.15
323.15	50000.00	908.62
323.15	60000.00	915.65
333.15	100.00	853.11
333.15	1000.00	854.08
333.15	3000.00	856.55
333.15	5000.00	858.82
333.15	10000.00	864.28
333.15	15000.00	869.44
333.15	20000.00	874.46
333.15	25000.00	879.2
333.15	30000.00	883.56
333.15	35000.00	887.79
333.15	40000.00	892.1
333.15	50000.00	899.8
333.15	60000.00	906.96
343.15	100.00	841.05
343.15	1000.00	842.4
343.15	3000.00	844.95
343.15	5000.00	847.57
343.15	10000.00	853.35
343.15	15000.00	858.9
343.15	20000.00	864.31
343.15	25000.00	869.1
343.15	30000.00	873.89
343.15	35000.00	878.44
343.15	40000.00	882.65
343.15	50000.00	890.89
343.15	60000.00	898.16
353.15	100.00	829.58
353.15	1000.00	830.8
353.15	3000.00	833.71
353.15	5000.00	836.31
353.15	10000.00	842.65
353.15	15000.00	848.71
353.15	20000.00	854.19
353.15	25000.00	859.51
353.15	30000.00	864.51
353.15	35000.00	869.35
353.15	40000.00	873.76
353.15	50000.00	882.24
353.15	60000.00	890.18
363.15	100.00	817.31
363.15	1000.00	818.87
363.15	3000.00	821.94
363.15	5000.00	824.91
363.15	10000.00	831.48
363.15	15000.00	838.19
363.15	20000.00	843.84
363.15	25000.00	849.26
363.15	30000.00	854.68
363.15	35000.00	859.76
363.15	40000.00	864.61
363.15	50000.00	873.56
363.15	60000.00	881.85
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[127.89; 285.39]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.37520e+01
Coefficient B			4.24040e-01
Coefficient C			-1.53600e-04
Coefficient D			-8.80000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	127.89	J/mol×K	273.00	Calculated Property
Cp,gas	154.15	J/mol×K	353.78	Calculated Property
Cp,gas	178.29	J/mol×K	434.56	Calculated Property
Cp,gas	200.28	J/mol×K	515.33	Calculated Property
Cp,gas	220.08	J/mol×K	596.11	Calculated Property
Cp,gas	237.67	J/mol×K	676.89	Calculated Property
Cp,gas	253.03	J/mol×K	757.67	Calculated Property
Cp,gas	266.12	J/mol×K	838.44	Calculated Property
Cp,gas	276.92	J/mol×K	919.22	Calculated Property
Cp,gas	285.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[277.56; 398.97]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.46637e+01
Coefficient B			-3.24931e+03
Coefficient C			-5.15380e+01
Temperature range, min.			277.56
Temperature range, max.			398.97
Pvap	1.33	kPa	277.56	Calculated Property
Pvap	3.00	kPa	291.05	Calculated Property
Pvap	6.18	kPa	304.54	Calculated Property
Pvap	11.83	kPa	318.03	Calculated Property
Pvap	21.29	kPa	331.52	Calculated Property
Pvap	36.30	kPa	345.01	Calculated Property
Pvap	59.05	kPa	358.50	Calculated Property
Pvap	92.20	kPa	371.99	Calculated Property
Pvap	138.87	kPa	385.48	Calculated Property
Pvap	202.63	kPa	398.97	Calculated Property
Pvap	[1.01e-04; 3451.09]	kPa	[187.35; 554.50]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			9.73784e+01
Coefficient B			-8.00472e+03
Coefficient C			-1.22593e+01
Coefficient D			8.64840e-06
Coefficient E			0.00000e+00
Temperature range, min.			187.35
Temperature range, max.			554.50
Pvap	1.01e-04	kPa	187.35	Calculated Property
Pvap	0.02	kPa	228.14	Calculated Property
Pvap	0.71	kPa	268.94	Calculated Property
Pvap	7.75	kPa	309.73	Calculated Property
Pvap	43.47	kPa	350.53	Calculated Property
Pvap	158.35	kPa	391.32	Calculated Property
Pvap	433.02	kPa	432.12	Calculated Property
Pvap	974.69	kPa	472.91	Calculated Property
Pvap	1919.85	kPa	513.71	Calculated Property
Pvap	3451.09	kPa	554.50	Calculated Property
Pvap	[101.83; 3021.34]	kPa	[375.50; 545.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.54754e+01
Coefficient B			-4.04867e+03
Coefficient C			-2.42100e+00
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			375.50
Temperature range, max.			545.00
Pvap	101.83	kPa	375.50	Calculated Property
Pvap	171.54	kPa	394.33	Calculated Property
Pvap	275.47	kPa	413.17	Calculated Property
Pvap	424.38	kPa	432.00	Calculated Property
Pvap	630.47	kPa	450.83	Calculated Property
Pvap	907.22	kPa	469.67	Calculated Property
Pvap	1269.16	kPa	488.50	Calculated Property
Pvap	1731.59	kPa	507.33	Calculated Property
Pvap	2310.31	kPa	526.17	Calculated Property
Pvap	3021.34	kPa	545.00	Calculated Property
Pvap	[0.13; 101.98]	kPa	[246.40; 375.50]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.51625e+01
Coefficient B			-3.51848e+03
Coefficient C			-4.16060e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			246.40
Temperature range, max.			375.50
Pvap	0.13	kPa	246.40	Calculated Property
Pvap	0.41	kPa	260.74	Calculated Property
Pvap	1.10	kPa	275.09	Calculated Property
Pvap	2.63	kPa	289.43	Calculated Property
Pvap	5.71	kPa	303.78	Calculated Property
Pvap	11.45	kPa	318.12	Calculated Property
Pvap	21.45	kPa	332.47	Calculated Property
Pvap	37.87	kPa	346.81	Calculated Property
Pvap	63.54	kPa	361.16	Calculated Property
Pvap	101.98	kPa	375.50	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 0.02]	N/m	[187.35; 376.15]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			5.87557e-02
Coefficient B			-1.14500e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			187.35
Temperature range, max.			376.15
γ	0.04	N/m	187.35	Calculated Property
γ	0.03	N/m	208.33	Calculated Property
γ	0.03	N/m	229.31	Calculated Property
γ	0.03	N/m	250.28	Calculated Property
γ	0.03	N/m	271.26	Calculated Property
γ	0.03	N/m	292.24	Calculated Property
γ	0.02	N/m	313.22	Calculated Property
γ	0.02	N/m	334.19	Calculated Property
γ	0.02	N/m	355.17	Calculated Property
γ	0.02	N/m	376.15	Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, methyl ester.

Mixtures

• Butanoic acid, methyl ester + Water
• Butanoic acid, methyl ester + Propane, 1,2-dichloro-
• Butanoic acid, methyl ester + Ethane, 1,2-dibromo-
• Butanoic acid, methyl ester + Propane, 1,3-dibromo-
• Butanoic acid, methyl ester + Butane, 1,4-dibromo-
• Butanoic acid, methyl ester + Pentane, 1,5-dibromo-
• Butanoic acid, methyl ester + 1,6-DIBROMOHEXANE
• 2-Propanol, 2-methyl- + Butanoic acid, methyl ester
• Butanoic acid, methyl ester + Acetonitrile
• Butanoic acid, methyl ester + Dodecane
• Butanoic acid, methyl ester + Dodecane + Decanoic acid, methyl ester
• Butanoic acid, methyl ester + Heptane
• Butanoic acid, methyl ester + Nonane
• Butanoic acid, methyl ester + Propanenitrile
• Butanoic acid, methyl ester + Octane
• Butanoic acid, methyl ester + Pentane, 2,2,4-trimethyl-
• Butanoic acid, methyl ester + Acetic acid, methyl ester
• Butanoic acid, methyl ester + Octane + Acetic acid, methyl ester
• Butanoic acid, methyl ester + Pentane, 2,2,4-trimethyl- + Acetic acid, methyl ester

Sources

• KDB Vapor Pressure Data
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
• Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
• Excess molar volumes and excess molar enthalpies for binary mixtures of 1,2-dichloropropane with methyl ethanoate, methyl propanoate, and methyl butanoate at T = 298.15K
• Activity coefficients at infinite dilution of organic solvents and water in 1-butyl-3-methylimidazolium dicyanamide. A literature review of hexane/hex-1-ene separation
• High selective water/butan-1-ol separation on investigation of limiting activity coefficients with [P8,8,8,8][[NTf2] ionic liquid
• Separation of binary mixtures based on limiting activity coefficients data using specific ammonium-based ionic liquid and modelling of thermodynamic functions
• High-pressure liquid densities of fatty acid methyl esters: Measurement and prediction with the PC-SAFT equation of state
• Thermodynamics and activity coefficients at infinite dilution for organic solutes in the ionic liquid 1-butyl-1-methylpyrrolidinium dicyanamide
• New ionic liquid [P4,4,4,4][NTf2] in bio-butanol extraction on investigation of limiting activity coefficients
• Ammonium ionic liquids in extraction of bio-butan-1-ol from water phase using activity coefficients at infinite dilution
• Thermodynamic study of (alkyl esters + alpha,omega-alkyl dihalides) IV: Hex and Vex for 25 binary mixtures {xC(u-1)H(2u-1)CO2CH3 + (1-x)alpha,omega-BrCH2(CH2)(v-2)CH2Br}, where u = 1 to 5, alpha = 1 and v = omega = 2 to 6
• Phase equilibria and the thermodynamic properties of methyl and ethyl esters of carboxylic acids. 1. Methyl n-butanoate and ethyl propanoate
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 4-(2-methoxyethyl)-4-methylmorpholinium bis(trifluoromethylsulfonyl)-amide
• Measurements of activity coefficients at infinite dilution for organic solutes and water in the ionic liquid 1-hexyl-3-methylimidazolium tetracyanoborate
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)-1-methylpiperidinium bis(trifluoromethylsulfonyl)-amide
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)-amide
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 4-(2-methoxyethyl)-4-methylmorpholinium trifluorotris(perfluoroethyl)phosphate
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)- 1-methylpiperidinium trifluorotris(perfluoroethyl)phosphate
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)- 1-methylpyrrolidinium trifluorotris(perfluoroethyl)phosphate
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-hydroxyethyl)- 3-methylimidazolium trifluorotris(perfluoroethyl)phosphate
• Measurements of activity coefficients at infinite dilution for organic solutes and water in the ionic liquid 1-butyl-1-methylpyrrolidinium tricyanomethanide
• Thermodynamics and activity coefficients at infinite dilution for organic solutes and water in the ionic liquid 1-butyl-1-methylmorpholinium tricyanomethanide
• Thermodynamics and activity coefficients at infinite dilution for organic solutes, water and diols in the ionic liquid choline bis(trifluoromethylsulfonyl)imide
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 4-(3-hydroxypropyl)-4-methylmorpholinium bis(trifluoromethylsulfonyl)-amide
• Activity coefficients at infinite dilution for organic solutes and water in 1-ethyl-1-methylpyrrolidinium lactate
• Activity coefficients at infinite dilution, physicochemical and thermodynamic properties for organic solutes and water in the ionic liquid ethyl-dimethyl-(2-methoxyethyl)ammonium trifluorotris-(perfluoroethyl)phosphate
• A 1-alkylcyanopyridinium-based ionic liquid in the separation processes
• Thermodynamics and selectivity of separation based on activity coefficients at infinite dilution of various solutes in 1-allyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide ionic liquid
• Thermodynamics and limiting activity coefficients measurements for organic solutes and water in the ionic liquid 1-dodecyl-3-methylimidzolium bis(trifluoromethylsulfonyl) imide
• Separation of binary mixtures hexane/hex-1-ene, cyclohexane/cyclohexene and ethylbenzene/styrene based on limiting activity coefficients
• Separation of water/butan-1-ol based on activity coefficients at infinite dilution in 1,3-didecyl-2-methylimidazolium dicyanamide ionic liquid
• Separation of binary mixtures hexane/hex-1-ene, cyclohexane/cyclohexene and ethylbenzene/styrene based on gamma infinity data measurements
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid trihexyl-tetradecyl-phosphonium tricyanomethanide
• Densities and interfacial tensions for fatty acid methyl esters (from methyl formate to methyl heptanoate) + water demixed mixtures at atmospheric pressure conditions
• Thermodynamic study of molecular interaction-selectivity in separation processes based on limiting activity coefficients
• Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
• The use of ionic liquids for separation of binary hydrocarbons mixtures based on gamma infinity data measurements
• A Study on Alkane + Ester + Ester Systems. Physicochemical Behavior of Binaries and Ternaries of Octane or Iso-octane with Methyl Esters (Ethanoate, Butanoate, Pentanoate)
• Experimental Investigation of the Thermophysical Properties of the Bio-Aviation Fuel Surrogates: Binary and Ternary Mixtures of n-Dodecane, Methyl Butyrate, and Methyl Decanoate
• Isobaric Vapor-Liquid Equilibria and Excess Properties for the Binary Systems of Methyl Esters + Heptane
• Excess Properties and Isobaric Vapor-Liquid Equilibria for Binary Mixtures of Methyl Esters + tert-Butanol
• Thermodynamic Properties of Mixtures Containing Ionic Liquids. 8. Activity Coefficients at Infinite Dilution of Hydrocarbons, Alcohols, Esters, and Aldehydes in 1-Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl) Imide Using Gas-Liquid Chromatography
• Thermodynamic Properties of Mixtures Containing Ionic Liquids. 9. Activity Coefficients at Infinite Dilution of Hydrocarbons, Alcohols, Esters, and Aldehydes in Trimethyl-butylammonium Bis(trifluoromethylsulfonyl) Imide Using Gas-Liquid Chromatography and Static Method
• Vapor-Liquid Equilibrium Data for the Binary Methyl Esters (Butyrate, Pentanoate, and Hexanoate) (1) + Acetonitrile (2) Systems at 93.32 kPa
• Experimental Study of Thermodynamic Properties of Mixtures Containing Ionic Liquid 1-Ethyl-3-methylimidazolium Ethyl Sulfate Using Gas-Liquid Chromatography and Transpiration Method
• Vapor-Liquid Equilibrium Data for the Binary Methyl Esters (Butyrate, Pentanoate, and Hexanoate) (1) + Propanenitrile (2) Systems at 93.32 kPa
• Thermal and Volumetric Properties of Four Aqueous Aroma Compounds at Infinite Dilution
• Measurements and Correlations of the Isobaric Vapor Liquid Equilibria of Binary Mixtures and Excess Properties for Mixtures Containing an Alkyl (Methyl, Ethyl) Butanoate with an Alkane (Heptane, Nonane) at 101.3 kPa
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• NCMS SOLV-DB
• The Yaws Handbook of Vapor Pressure

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