Chemical Properties of Acetic acid, 2-methylpropyl ester (CAS 110-19-0)

InChI

InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3

InChI Key

GJRQTCIYDGXPES-UHFFFAOYSA-N

Formula

C6H12O2

SMILES

CC(=O)OCC(C)C

Molecular Weight¹

116.16

CAS

110-19-0

Other Names

• 2-METHYLPROPYL ESTER ACETIC ACID
• 2-Methyl-1-propanol, acetate
• 2-Methyl-1-propyl acetate
• 2-Methylpropyl acetate
• 2-methylpropyl ethanoate
• Acetate d'isobutyle
• Acetic acid isobutyl ester
• Isobutyl acetate fcc
• Isobutylester kyseliny octove
• NSC 8035
• UN 1213
• acetic acid, isobutyl ester
• ethanoic acid, isobutyl ester
• i-Butyl acetate
• isobutyl acetate
• isobutyl ethanoate
• «beta»-Methylpropyl ethanoate

• ω : Acentric Factor.
• T_ig : Autoignition Temperature (K).
• 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).
• LFL : Lower Flammability Limit (% in Air).
• UFL : Upper Flammability Limit (% in Air).
• T_flash,cc : Flash Point (Closed Cup Method) (K).
• T_flash,oc : Flash Point (Open 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.
• P_c : Critical Pressure (kPa).
• P_triple : Triple Point 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_boil(P) : Boiling point at given pressure (K).
• T_c : Critical Temperature (K).
• λ_gas : Gas thermal conductivity (W/m×K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.4302; 0.4560]
ω	0.4302		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.4560		ChemSep v8.3 pure component data Compiled value
ω	0.4550		KDB
Tig	695.93	K	KDB
ΔcH°liquid	-3534.00	kJ/mol	NIST
μ	[1.87; 1.90]	debye
μ	1.87	debye	ChemSep v8.3 pure component data Compiled value
μ	1.90	debye	KDB
LFL	2.40	% in Air	KDB
UFL	10.50	% in Air	KDB
Tflash,cc	302.59	K	KDB
Tflash,oc	289.82	K	KDB
ΔfG°	-322.20	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	[-495.50; -493.00]	kJ/mol
ΔfH°gas	-493.00	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-495.50	kJ/mol	KDB
ΔfusH°	12.14	kJ/mol	Joback Calculated Property
ΔvapH°	35.90 ± 0.04	kJ/mol	NIST
IE	9.97	eV	NIST
log10WS	[-1.21; -1.21]
log10WS	-1.21		Aq. Solubility Prediction
log10WS	-1.21		Estimated Solubility
logPoct/wat	1.206		Crippen Calculated Property
McVol	102.840	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	1		KDB
Pc	[2990.00; 3180.00]	kPa
Pc	2990.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Pc	3010.00	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	3160.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	3160.00	kPa	KDB
Pc	3010.00 ± 20.00	kPa	NIST
Pc	3180.00 ± 60.79	kPa	NIST
Ptriple	6.22e-06	kPa	ChemSep v8.3 pure component data Compiled value
ρc	281.10 ± 8.13	kg/m3	NIST
Inp	[730.00; 788.00]
Inp	757.70		NIST
Inp	758.98		NIST
Inp	757.00		NIST
Inp	755.00		NIST
Inp	757.20		NIST
Inp	750.00		NIST
Inp	768.00		NIST
Inp	758.00		NIST
Inp	750.00		NIST
Inp	762.00		NIST
Inp	764.00		NIST
Inp	763.00		NIST
Inp	764.00		NIST
Inp	763.00		NIST
Inp	758.00		NIST
Inp	760.00		NIST
Inp	764.00		NIST
Inp	750.00		NIST
Inp	Outlier 783.00		NIST
Inp	Outlier 788.00		NIST
Inp	753.00		NIST
Inp	767.20		NIST
Inp	741.00		NIST
Inp	741.00		NIST
Inp	781.00		NIST
Inp	779.00		NIST
Inp	756.00		NIST
Inp	755.00		NIST
Inp	755.00		NIST
Inp	755.00		NIST
Inp	770.00		NIST
Inp	745.30		NIST
Inp	748.40		NIST
Inp	749.70		NIST
Inp	752.10		NIST
Inp	749.80		NIST
Inp	748.70		NIST
Inp	754.45		NIST
Inp	754.00		NIST
Inp	754.00		NIST
Inp	747.00		NIST
Inp	746.00		NIST
Inp	750.00		NIST
Inp	750.00		NIST
Inp	748.00		NIST
Inp	749.00		NIST
Inp	749.00		NIST
Inp	782.00		NIST
Inp	780.00		NIST
Inp	Outlier 786.00		NIST
Inp	763.00		NIST
Inp	776.00		NIST
Inp	768.00		NIST
Inp	771.00		NIST
Inp	757.00		NIST
Inp	766.00		NIST
Inp	Outlier 734.00		NIST
Inp	749.00		NIST
Inp	770.00		NIST
Inp	770.00		NIST
Inp	767.00		NIST
Inp	779.50		NIST
Inp	757.00		NIST
Inp	764.00		NIST
Inp	760.00		NIST
Inp	760.00		NIST
Inp	770.00		NIST
Inp	758.00		NIST
Inp	744.00		NIST
Inp	745.00		NIST
Inp	743.00		NIST
Inp	744.00		NIST
Inp	754.00		NIST
Inp	758.00		NIST
Inp	764.00		NIST
Inp	764.00		NIST
Inp	758.00		NIST
Inp	Outlier 730.00		NIST
Inp	780.00		NIST
Inp	782.00		NIST
Inp	771.00		NIST
Inp	772.00		NIST
Inp	781.00		NIST
Inp	768.00		NIST
Inp	750.00		NIST
Inp	772.00		NIST
Inp	750.00		NIST
Inp	768.00		NIST
Inp	758.00		NIST
Inp	753.00		NIST
Inp	767.00		NIST
Inp	772.00		NIST
Inp	753.00		NIST
Inp	758.00		NIST
Inp	775.00		NIST
Inp	749.00		NIST
Inp	758.00		NIST
Inp	759.00		NIST
Inp	762.00		NIST
Inp	762.00		NIST
Inp	759.00		NIST
Inp	754.00		NIST
Inp	750.00		NIST
Inp	755.00		NIST
Inp	748.00		NIST
Inp	758.00		NIST
Inp	749.00		NIST
Inp	746.00		NIST
Inp	748.00		NIST
Inp	750.00		NIST
Inp	753.00		NIST
Inp	Outlier 730.00		NIST
Inp	781.00		NIST
Inp	768.00		NIST
Inp	753.00		NIST
Inp	759.00		NIST
Inp	750.00		NIST
Inp	746.00		NIST
Inp	780.00		NIST
Inp	771.00		NIST
Ip	[976.00; 1047.00]
Ip	1025.00		NIST
Ip	1011.00		NIST
Ip	1025.00		NIST
Ip	1013.00		NIST
Ip	1033.00		NIST
Ip	1018.00		NIST
Ip	1020.00		NIST
Ip	1029.00		NIST
Ip	1005.00		NIST
Ip	1017.00		NIST
Ip	1000.00		NIST
Ip	1031.00		NIST
Ip	1029.00		NIST
Ip	1022.00		NIST
Ip	1002.00		NIST
Ip	1007.00		NIST
Ip	1027.00		NIST
Ip	989.00		NIST
Ip	986.00		NIST
Ip	1014.00		NIST
Ip	993.00		NIST
Ip	1012.00		NIST
Ip	1013.00		NIST
Ip	1019.00		NIST
Ip	1011.00		NIST
Ip	1009.00		NIST
Ip	1009.00		NIST
Ip	1012.00		NIST
Ip	1002.00		NIST
Ip	1018.00		NIST
Ip	1016.00		NIST
Ip	1034.00		NIST
Ip	1010.00		NIST
Ip	1012.00		NIST
Ip	1009.00		NIST
Ip	1009.00		NIST
Ip	1035.00		NIST
Ip	985.00		NIST
Ip	1015.00		NIST
Ip	1004.00		NIST
Ip	1032.00		NIST
Ip	1008.00		NIST
Ip	1000.00		NIST
Ip	1009.00		NIST
Ip	1000.00		NIST
Ip	998.00		NIST
Ip	988.00		NIST
Ip	988.00		NIST
Ip	992.00		NIST
Ip	1005.00		NIST
Ip	1000.00		NIST
Ip	1005.00		NIST
Ip	1014.00		NIST
Ip	1007.00		NIST
Ip	1005.00		NIST
Ip	1005.00		NIST
Ip	1009.00		NIST
Ip	1009.00		NIST
Ip	1017.00		NIST
Ip	1010.00		NIST
Ip	1011.00		NIST
Ip	1014.00		NIST
Ip	1014.00		NIST
Ip	Outlier 1047.00		NIST
Ip	1019.00		NIST
Ip	1020.00		NIST
Ip	1012.00		NIST
Ip	1012.00		NIST
Ip	Outlier 976.00		NIST
Ip	1024.00		NIST
Ip	985.00		NIST
Ip	1017.00		NIST
Ip	1020.00		NIST
Ip	1020.00		NIST
Ip	987.00		NIST
Ip	1020.00		NIST
Ip	1020.00		NIST
Ip	1000.00		NIST
Ip	1020.00		NIST
Ip	1023.00		NIST
Ip	1023.00		NIST
Ip	1023.00		NIST
Ip	Outlier 984.00		NIST
Ip	1025.00		NIST
Ip	1032.00		NIST
Tboil	[385.15; 391.15]	K
Tboil	389.44	K	Isobaric VLE at 0.6 MPa for binary systems isobutyl acetate + ethanol, + 1-propanol or + 2-propanol
Tboil	389.55	K	Vapour-liquid equilibrium measurements and extractive distillation process design for separation of azeotropic mixture (dimethyl carbonate + ethanol)
Tboil	389.90	K	Isobaric Vapor Liquid Equilibrium for the Binary and Ternary System with Isobutyl Alcohol, Isobutyl Acetate and Dimethyl Sulfoxide at 101.3 kPa
Tboil	389.75	K	Measurement and Correlation of Isobaric Vapor-Liquid Equilibrium for Binary Systems of Allyl Alcohol with Isobutyl Acetate, Butyl Acetate, and Butyl Propionate at 101.3 kPa
Tboil	389.55	K	Isobaric Vapor-Liquid Equilibrium Measurements for Separation of Azeotrope (Methanol + Methyl Acetate)
Tboil	389.72	K	ChemSep v8.3 pure component data Compiled value
Tboil	389.70	K	KDB
Tboil	389.20 ± 1.50	K	NIST
Tboil	390.40	K	NIST
Tboil	390.00	K	NIST
Tboil	390.20 ± 0.50	K	NIST
Tboil	389.00 ± 3.00	K	NIST
Tboil	390.45	K	NIST
Tboil	390.30 ± 1.50	K	NIST
Tboil	387.90 ± 2.00	K	NIST
Tboil	390.25 ± 2.00	K	NIST
Tboil	390.60 ± 0.50	K	NIST
Tboil	390.55 ± 0.50	K	NIST
Tboil	390.00 ± 2.00	K	NIST
Tboil	389.25 ± 2.00	K	NIST
Tboil	390.35 ± 2.00	K	NIST
Tboil	390.40 ± 0.50	K	NIST
Tboil	389.40 ± 2.00	K	NIST
Tboil	390.40 ± 0.40	K	NIST
Tboil	390.40 ± 0.50	K	NIST
Tboil	389.65 ± 2.00	K	NIST
Tboil	388.85 ± 2.00	K	NIST
Tboil	391.15 ± 2.00	K	NIST
Tboil	388.90 ± 1.00	K	NIST
Tboil	390.00 ± 2.00	K	NIST
Tboil	388.90 ± 1.50	K	NIST
Tboil	390.55 ± 2.00	K	NIST
Tboil	Outlier 385.15 ± 2.00	K	NIST
Tboil	390.15 ± 1.00	K	NIST
Tc	[560.80; 569.00]	K
Tc	561.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc	561.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	561.00	K	ChemSep v8.3 pure component data Compiled value
Tc	561.00	K	KDB
Tc	560.80 ± 0.60	K	NIST
Tc	561.50 ± 2.00	K	NIST
Tc	Outlier 569.00 ± 5.00	K	NIST
Tfus	[174.25; 240.15]	K
Tfus	174.25	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	174.30	K	ChemSep v8.3 pure component data Compiled value
Tfus	174.30	K	KDB
Tfus	174.25	K	Aq. Solubility Prediction
Tfus	176.05	K	NIST
Tfus	176.10 ± 0.60	K	NIST
Tfus	Outlier 240.15 ± 0.50	K	NIST
Ttriple	174.30	K	ChemSep v8.3 pure component data Compiled value
UQi	4.19		ChemSep v8.3 pure component data Compiled value
URi	4.83		ChemSep v8.3 pure component data Compiled value
Vc	[0.401; 0.414]	m3/kmol
Vc	0.401	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Vc	0.414	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.413	m3/kmol	ChemSep v8.3 pure component data Compiled value
Vc	0.414	m3/kmol	KDB
Zc	[0.2570000; 0.2804710]
Zc	0.2570000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Zc	0.2660000		ChemSep v8.3 pure component data Compiled value
Zc	0.2804710		KDB
Zra	0.27		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	240.20	J/mol×K	290.00	NIST
ΔvapH	[39.20; 39.90]	kJ/mol	[321.50; 359.00]
ΔvapH	39.80	kJ/mol	321.50	NIST
ΔvapH	39.90	kJ/mol	349.50	NIST
ΔvapH	39.20	kJ/mol	359.00	NIST
Pvap	101.30	kPa	389.55	Vapour-liquid equilibrium measurements and extractive distillation process design for separation of azeotropic mixture (dimethyl carbonate + ethanol)
n0	[1.38760; 1.39050]		[293.15; 298.20]
n0	1.39050		293.15	Isobaric Vapor Liquid Equilibrium for Binary Systems of Thioglycolic Acid with Water, Butyl Acetate, Butyl Formate, and Isobutyl Acetate at 101.3 kPa
n0	1.39020		293.15	Measurement and Correlation of Phase Equilibria for Isobutyl Acetate + {Ethanol or Methanol} + Water at 303.15 and 323.15 K
n0	1.38760		298.15	Isobaric vapor-liquid equilibria for the binary systems isobutyl alcohol + isobutyl acetate and tert-butyl alcohol + tert-butyl acetate at 20 and 101.3 kPa
n0	1.38760		298.15	Phase equilibria in the systems isobutyl alcohol +N,N-dimethylformamide, isobutyl acetate +N,N-dimethylformamide and isobutyl alcohol + isobutyl acetate +N,N-dimethylformamide at 101.3 kPa
n0	1.38760		298.15	Phase equilibria in the ternary system isobutyl alcohol + isobutyl acetate + 1-hexanol and the binary systems isobutyl alcohol + 1-hexanol, isobutyl acetate + 1-hexanol at 101.3 kPa
n0	1.38760		298.15	Vapor liquid equilibria in the ternary system isobutyl alcohol + isobutyl acetate + butyl propionate and the binary systems isobutyl alcohol + butyl propionate, isobutyl acetate + butyl propionate at 101.3 kPa
n0	1.38760		298.15	Liquid liquid equilibria of the systems isobutyl acetate + isobutyl alcohol +water and isobutyl acetate + isobutyl alcohol + glycerol at different temperatures
n0	1.38760		298.15	Study of liquid liquid equilibrium of the systems isobutyl acetate + acetic acid +water and isobutyl alcohol + acetic acid +water at different temperatures
n0	1.38780		298.20	Tie-line data for the aqueous solutions of phenol with organic solvents at T = 298.2 K
ρl	[849.39; 875.00]	kg/m3	[293.00; 313.20]
ρl	875.00	kg/m3	293.00	KDB
ρl	871.30	kg/m3	293.20	Liquid-liquid equilibrium data for ternary systems of water + acetic acid + acetate esters at 293.2 K and 303.2 K and ~ 95 kPa
ρl	849.39	kg/m3	313.20	Liquid-liquid equilibrium data for ternary systems of water + acetic acid + acetate esters at 293.2 K and 303.2 K and ~ 95 kPa
γ	[0.02; 0.02]	N/m	[298.15; 313.15]
γ	0.02	N/m	298.15	Excess Molar Volumes and Surface Tensions of 1,2,4-Trimethylbenzene and 1,3,5-Trimethylbenzene with Isopropyl Acetate and Isobutyl Acetate at (298.15, 308.15, and 313.15) K
γ	0.02	N/m	308.15	Excess Molar Volumes and Surface Tensions of 1,2,4-Trimethylbenzene and 1,3,5-Trimethylbenzene with Isopropyl Acetate and Isobutyl Acetate at (298.15, 308.15, and 313.15) K
γ	0.02	N/m	313.15	Excess Molar Volumes and Surface Tensions of 1,2,4-Trimethylbenzene and 1,3,5-Trimethylbenzene with Isopropyl Acetate and Isobutyl Acetate at (298.15, 308.15, and 313.15) K

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboil(P)	[361.00; 403.64]	K	[39.99; 150.00]
Tboil(P)	361.00	K	39.99	Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil
Tboil(P)	367.41	K	49.98	Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil
Tboil(P)	372.89	K	59.99	Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil
Tboil(P)	377.39	K	70.00	Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil
Tboil(P)	381.58	K	80.00	Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil
Tboil(P)	385.54	K	90.00	Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil
Tboil(P)	389.37	K	100.00	Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil
Tboil(P)	392.35	K	110.00	Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil
Tboil(P)	395.26	K	120.00	Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil
Tboil(P)	398.16	K	130.00	Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil
Tboil(P)	400.84	K	140.00	Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil
Tboil(P)	403.64	K	150.00	Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[145.97; 375.76]	J/mol×K	[273.00; 1400.15]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.00140e+02
Coefficient B			-6.54650e+02
Coefficient C			6.26824e+00
Coefficient D			-1.74640e-04
Coefficient E			3.20680e-08
Temperature range, min.			273.00
Temperature range, max.			1400.15
Cp,gas	145.97	J/mol×K	273.00	Calculated Property
Cp,gas	195.72	J/mol×K	398.24	Calculated Property
Cp,gas	239.22	J/mol×K	523.48	Calculated Property
Cp,gas	274.18	J/mol×K	648.72	Calculated Property
Cp,gas	301.77	J/mol×K	773.96	Calculated Property
Cp,gas	323.57	J/mol×K	899.19	Calculated Property
Cp,gas	340.94	J/mol×K	1024.43	Calculated Property
Cp,gas	354.93	J/mol×K	1149.67	Calculated Property
Cp,gas	366.34	J/mol×K	1274.91	Calculated Property
Cp,gas	375.76	J/mol×K	1400.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[208.30; 338.40]	J/mol×K	[211.01; 504.72]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K
Coefficient A			1.61610e+02
Coefficient B			6.60760e+02
Coefficient C			-3.59796e+00
Coefficient D			2.44760e-02
Coefficient E			-1.91950e-05
Temperature range, min.			211.01
Temperature range, max.			504.72
Cp,liquid	208.30	J/mol×K	211.01	Calculated Property
Cp,liquid	212.93	J/mol×K	243.64	Calculated Property
Cp,liquid	221.39	J/mol×K	276.28	Calculated Property
Cp,liquid	233.15	J/mol×K	308.91	Calculated Property
Cp,liquid	247.85	J/mol×K	341.55	Calculated Property
Cp,liquid	265.04	J/mol×K	374.18	Calculated Property
Cp,liquid	283.94	J/mol×K	406.82	Calculated Property
Cp,liquid	303.46	J/mol×K	439.45	Calculated Property
Cp,liquid	322.16	J/mol×K	472.09	Calculated Property
Cp,liquid	338.40	J/mol×K	504.72	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008765; 0.0002408]	Pa×s	[275.00; 389.80]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-7.13510e+00
Coefficient B			5.66940e+02
Coefficient C			-2.44270e-01
Coefficient D			-7.85480e-06
Coefficient E			2.00000e+00
Temperature range, min.			275.00
Temperature range, max.			389.80
η	0.0008765	Pa×s	275.00	Calculated Property
η	0.0007478	Pa×s	287.76	Calculated Property
η	0.0006416	Pa×s	300.51	Calculated Property
η	0.0005531	Pa×s	313.27	Calculated Property
η	0.0004786	Pa×s	326.02	Calculated Property
η	0.0004155	Pa×s	338.78	Calculated Property
η	0.0003616	Pa×s	351.53	Calculated Property
η	0.0003153	Pa×s	364.29	Calculated Property
η	0.0002754	Pa×s	377.04	Calculated Property
η	0.0002408	Pa×s	389.80	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[47.44; 1.67]	kJ/mol	[174.30; 560.80]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			6.40865e+01
Coefficient B			1.31322e+00
Coefficient C			-1.99223e+00
Coefficient D			1.20384e+00
Coefficient E			-6.54865e-02
Critical temperature, Tc (K)			5.61000e+02
Temperature range, min.			174.30
Temperature range, max.			560.80
ΔvapH	47.44	kJ/mol	174.30	Calculated Property
ΔvapH	45.08	kJ/mol	217.24	Calculated Property
ΔvapH	42.96	kJ/mol	260.19	Calculated Property
ΔvapH	40.90	kJ/mol	303.13	Calculated Property
ΔvapH	38.65	kJ/mol	346.08	Calculated Property
ΔvapH	35.96	kJ/mol	389.02	Calculated Property
ΔvapH	32.45	kJ/mol	431.97	Calculated Property
ΔvapH	27.59	kJ/mol	474.91	Calculated Property
ΔvapH	20.28	kJ/mol	517.86	Calculated Property
ΔvapH	1.67	kJ/mol	560.80	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[287.55; 414.85]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.50519e+01
Coefficient B			-3.64415e+03
Coefficient C			-4.07290e+01
Temperature range, min.			287.55
Temperature range, max.			414.85
Pvap	1.33	kPa	287.55	Calculated Property
Pvap	2.97	kPa	301.69	Calculated Property
Pvap	6.08	kPa	315.84	Calculated Property
Pvap	11.63	kPa	329.98	Calculated Property
Pvap	20.92	kPa	344.13	Calculated Property
Pvap	35.72	kPa	358.27	Calculated Property
Pvap	58.28	kPa	372.42	Calculated Property
Pvap	91.34	kPa	386.56	Calculated Property
Pvap	138.19	kPa	400.71	Calculated Property
Pvap	202.63	kPa	414.85	Calculated Property
Pvap	[2.31e-05; 3065.14]	kPa	[174.30; 561.15]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			2.15449e+01
Coefficient B			-5.05154e+03
Coefficient C			-6.15949e-01
Coefficient D			-1.95606e-06
Coefficient E			2.00000e+00
Temperature range, min.			174.30
Temperature range, max.			561.15
Pvap	2.31e-05	kPa	174.30	Calculated Property
Pvap	6.03e-03	kPa	217.28	Calculated Property
Pvap	0.24	kPa	260.27	Calculated Property
Pvap	3.28	kPa	303.25	Calculated Property
Pvap	22.62	kPa	346.23	Calculated Property
Pvap	99.11	kPa	389.22	Calculated Property
Pvap	315.25	kPa	432.20	Calculated Property
Pvap	793.09	kPa	475.18	Calculated Property
Pvap	1670.59	kPa	518.17	Calculated Property
Pvap	3065.14	kPa	561.15	Calculated Property
Pvap	[4.57e-06; 3169.48]	kPa	[174.30; 561.00]	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			9.01223e+01
Coefficient B			-7.87047e+03
Coefficient C			-1.11424e+01
Coefficient D			7.93342e-06
Coefficient E			0.00000e+00
Temperature range, min.			174.30
Temperature range, max.			561.00
Pvap	4.57e-06	kPa	174.30	Calculated Property
Pvap	3.39e-03	kPa	217.27	Calculated Property
Pvap	0.21	kPa	260.23	Calculated Property
Pvap	3.39	kPa	303.20	Calculated Property
Pvap	24.24	kPa	346.17	Calculated Property
Pvap	104.11	kPa	389.13	Calculated Property
Pvap	320.39	kPa	432.10	Calculated Property
Pvap	788.29	kPa	475.07	Calculated Property
Pvap	1665.25	kPa	518.03	Calculated Property
Pvap	3169.48	kPa	561.00	Calculated Property
Pvap	[0.13; 100.37]	kPa	[252.00; 391.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.50514e+01
Coefficient B			-3.74372e+03
Coefficient C			-3.24940e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			252.00
Temperature range, max.			391.00
Pvap	0.13	kPa	252.00	Calculated Property
Pvap	0.41	kPa	267.44	Calculated Property
Pvap	1.11	kPa	282.89	Calculated Property
Pvap	2.63	kPa	298.33	Calculated Property
Pvap	5.71	kPa	313.78	Calculated Property
Pvap	11.41	kPa	329.22	Calculated Property
Pvap	21.31	kPa	344.67	Calculated Property
Pvap	37.50	kPa	360.11	Calculated Property
Pvap	62.73	kPa	375.56	Calculated Property
Pvap	100.37	kPa	391.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[973.88; 304.27]	kg/m3	[174.30; 560.80]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			4.74425e+01
Coefficient B			2.07840e-01
Coefficient C			5.61000e+02
Coefficient D			2.13940e-01
Temperature range, min.			174.30
Temperature range, max.			560.80
ρl	973.88	kg/m3	174.30	Calculated Property
ρl	939.37	kg/m3	217.24	Calculated Property
ρl	902.70	kg/m3	260.19	Calculated Property
ρl	863.35	kg/m3	303.13	Calculated Property
ρl	820.54	kg/m3	346.08	Calculated Property
ρl	773.08	kg/m3	389.02	Calculated Property
ρl	718.86	kg/m3	431.97	Calculated Property
ρl	653.62	kg/m3	474.91	Calculated Property
ρl	565.65	kg/m3	517.86	Calculated Property
ρl	304.27	kg/m3	560.80	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 0.01]	N/m	[174.15; 389.65]	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			5.32601e-02
Coefficient B			-1.01300e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			174.15
Temperature range, max.			389.65
γ	0.04	N/m	174.15	Calculated Property
γ	0.03	N/m	198.09	Calculated Property
γ	0.03	N/m	222.04	Calculated Property
γ	0.03	N/m	245.98	Calculated Property
γ	0.03	N/m	269.93	Calculated Property
γ	0.02	N/m	293.87	Calculated Property
γ	0.02	N/m	317.82	Calculated Property
γ	0.02	N/m	341.76	Calculated Property
γ	0.02	N/m	365.71	Calculated Property
γ	0.01	N/m	389.65	Calculated Property
γ	[0.04; 5.96e-06]	N/m	[174.30; 559.25]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K
Coefficient A			-1.52600e-02
Coefficient B			2.61960e+01
Coefficient C			-3.02060e+00
Coefficient D			8.98110e-05
Coefficient E			-4.02410e-06
Comment			Range stopped where the equation turns negative; ChemSep gives it to 560.8 K.
Temperature range, min.			174.30
Temperature range, max.			559.25
γ	0.04	N/m	174.30	Calculated Property
γ	0.03	N/m	217.07	Calculated Property
γ	0.03	N/m	259.85	Calculated Property
γ	0.02	N/m	302.62	Calculated Property
γ	0.02	N/m	345.39	Calculated Property
γ	0.01	N/m	388.16	Calculated Property
γ	0.01	N/m	430.94	Calculated Property
γ	0.01	N/m	473.71	Calculated Property
γ	0.00	N/m	516.48	Calculated Property
γ	5.96e-06	N/m	559.25	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.00; 0.13]	W/m×K	[174.30; 1000.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K
Coefficient A			-1.01120e-03
Coefficient B			9.52920e-01
Coefficient C			-6.81390e+03
Coefficient D			2.70410e+05
Temperature range, min.			174.30
Temperature range, max.			1000.00
λgas	0.00	W/m×K	174.30	Calculated Property
λgas	0.01	W/m×K	266.04	Calculated Property
λgas	0.02	W/m×K	357.79	Calculated Property
λgas	0.03	W/m×K	449.53	Calculated Property
λgas	0.04	W/m×K	541.28	Calculated Property
λgas	0.05	W/m×K	633.02	Calculated Property
λgas	0.07	W/m×K	724.77	Calculated Property
λgas	0.09	W/m×K	816.51	Calculated Property
λgas	0.11	W/m×K	908.26	Calculated Property
λgas	0.13	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.17; 0.09]	W/m×K	[168.30; 448.30]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K
Coefficient A			7.08740e-02
Coefficient B			4.05280e+02
Coefficient C			-7.18920e+00
Coefficient D			2.04740e-02
Coefficient E			-3.38310e-05
Temperature range, min.			168.30
Temperature range, max.			448.30
λliquid	0.17	W/m×K	168.30	Calculated Property
λliquid	0.16	W/m×K	199.41	Calculated Property
λliquid	0.15	W/m×K	230.52	Calculated Property
λliquid	0.15	W/m×K	261.63	Calculated Property
λliquid	0.14	W/m×K	292.74	Calculated Property
λliquid	0.13	W/m×K	323.86	Calculated Property
λliquid	0.12	W/m×K	354.97	Calculated Property
λliquid	0.11	W/m×K	386.08	Calculated Property
λliquid	0.10	W/m×K	417.19	Calculated Property
λliquid	0.09	W/m×K	448.30	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, 2-methylpropyl ester.

Mixtures

• Acetic acid, 2-methylpropyl ester + Acetic acid, mercapto- + Water
• Acetic acid, 2-methylpropyl ester + 2-Propanol + Water
• Acetic acid, 2-methylpropyl ester + Acetic acid + Water
• Acetic acid, 2-methylpropyl ester + Water
• Acetic acid, 2-methylpropyl ester + Phenol + Water
• Acetic acid, 2-methylpropyl ester + Formamide, N,N-dimethyl-
• Acetic acid, 2-methylpropyl ester + Formamide, N,N-dimethyl- + 1-Propanol, 2-methyl-
• Acetic acid, 2-methylpropyl ester + Ethanol
• 1-Propanol + Acetic acid, 2-methylpropyl ester
• Acetic acid, 2-methylpropyl ester + 2-Propanol
• Acetic acid, 2-methylpropyl ester + Propanoic acid + Water
• Acetic acid, 2-methylpropyl ester + Carbonic acid, dimethyl ester
• Acetic acid, 2-methylpropyl ester + Simvastatin
• Acetic acid, 2-methylpropyl ester + Heptane + Simvastatin
• Acetic acid, 2-methylpropyl ester + 1-Propanol, 2-methyl-
• Acetic acid, 2-methylpropyl ester + 1-Propanol, 2-methyl- + Water
• Acetic acid, 2-methylpropyl ester + Glycerin + 1-Propanol, 2-methyl-
• Acetic acid, 2-methylpropyl ester + Water + Phosphoric Acid
• Acetic acid, 2-methylpropyl ester + 1-Hexanol
• Acetic acid, 2-methylpropyl ester + 1-Propanol, 2-methyl- + 1-Hexanol

Find more mixtures with Acetic acid, 2-methylpropyl 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.
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Isobaric vapor-liquid equilibria for the binary systems isobutyl alcohol + isobutyl acetate and tert-butyl alcohol + tert-butyl acetate at 20 and 101.3 kPa
• Phase equilibria in the systems isobutyl alcohol +N,N-dimethylformamide, isobutyl acetate +N,N-dimethylformamide and isobutyl alcohol + isobutyl acetate +N,N-dimethylformamide at 101.3 kPa
• Phase equilibria in the ternary system isobutyl alcohol + isobutyl acetate + 1-hexanol and the binary systems isobutyl alcohol + 1-hexanol, isobutyl acetate + 1-hexanol at 101.3 kPa
• Vapor liquid equilibria in the ternary system isobutyl alcohol + isobutyl acetate + butyl propionate and the binary systems isobutyl alcohol + butyl propionate, isobutyl acetate + butyl propionate at 101.3 kPa
• Liquid liquid equilibria of the systems isobutyl acetate + isobutyl alcohol +water and isobutyl acetate + isobutyl alcohol + glycerol at different temperatures
• Study of liquid liquid equilibrium of the systems isobutyl acetate + acetic acid +water and isobutyl alcohol + acetic acid +water at different temperatures
• Solubility and limiting activity coefficient of simvastatin in different organic solvents
• Investigation on isobaric vapor-liquid equilibrium for acetic acid + water + (n-propyl acetate or iso-butyl acetate)
• Solubility of lansoprazole in different solvents
• Isobaric VLE at 0.6 MPa for binary systems isobutyl acetate + ethanol, + 1-propanol or + 2-propanol
• Phase behavior of binary mixture for the isoalkyl acetate in supercritical carbon dioxide
• Solution thermodynamics of simvastatin in pure solvents and binary solvent mixtures
• Liquid-liquid equilibrium determination and thermodynamics modeling for extraction of isopropanol from its aqueous solution
• Liquid-liquid equilibrium data for ternary systems of water + acetic acid + acetate esters at 293.2 K and 303.2 K and ~ 95 kPa
• (Liquid + liquid) equilibria in ternary aqueous mixtures of phosphoric acid with organic solvents at T = 298.2 K
• Tie-line data for the aqueous solutions of phenol with organic solvents at T = 298.2 K
• Measurement and thermodynamic modelling of ternary liquid-liquid equilibrium for extraction of thioglycolic acid from aqueous solution with different solvents
• Vapour-liquid equilibrium measurements and extractive distillation process design for separation of azeotropic mixture (dimethyl carbonate + ethanol)
• Binodal Curves and Tie Line Data of the Water - Propionic Acid - Isobutyl Acetate at T = (298.2, 308.2, 318.2, and 328.2) K
• Solubility of Benzoic Acid and Aspirin in Pure Solvents Using Focused Beam Reflective Measurement
• Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil
• Isobaric Vapor Liquid Equilibrium for Binary Systems of Thioglycolic Acid with Water, Butyl Acetate, Butyl Formate, and Isobutyl Acetate at 101.3 kPa
• Measurement and Correlation of Phase Equilibria for Isobutyl Acetate + {Ethanol or Methanol} + Water at 303.15 and 323.15 K
• Isobaric Vapor Liquid Equilibrium for the Binary and Ternary System with Isobutyl Alcohol, Isobutyl Acetate and Dimethyl Sulfoxide at 101.3 kPa
• Separation of Protocatechuic Acid Using Di-(2-ethylhexyl)phosphoric Acid in Isobutyl Acetate, Toluene, and Petroleum Ether
• Measurement and Correlation of Isobaric Vapor-Liquid Equilibrium for Binary Systems of Allyl Alcohol with Isobutyl Acetate, Butyl Acetate, and Butyl Propionate at 101.3 kPa
• Isobaric Vapor-Liquid Equilibrium Measurements for Separation of Azeotrope (Methanol + Methyl Acetate)
• Liquid-Liquid Equilibrium of Isobutyl Acetate + Isobutyl Alcohol + Imidazolium-Based Ionic Liquids at 298.15 and 308.15 K
• Determination of Partitioning Coefficients of Numerous Organic Solutes between a Long-Chain Aliphatic Alcohol and the Gas Phase as a Function of Temperature
• Vapor-Liquid Equilibrium for Carbon Dioxide + Isopropyl, Isobutyl, and Isoamyl Acetates
• Solubilities of Benzene Carboxylic Acids in Isobutyl Acetate from (299.73 to 353.15) K
• Ternary Liquid Liquid Equilibria of Water + Prop-2-enoic Acid + Isobutyl Ethanoate at Different Temperatures
• Fast Determination of Binary Vapor Liquid Equilibrium of CO2-Based Mixtures at Elevated Pressures
• Liquid-Liquid Equilibria for the Ternary Systems Acetic Acid + Water + Butyl Acetate and Acetic Acid + Water + 2-Methyl Propyl Acetate at 304.15 K, 332.15 K, and 366.15 K
• Excess Molar Volumes and Surface Tensions of 1,2,4-Trimethylbenzene and 1,3,5-Trimethylbenzene with Isopropyl Acetate and Isobutyl Acetate at (298.15, 308.15, and 313.15) K
• Solubility of Lovastatin in Ethyl Acetate, Propyl Acetate, Isopropyl Acetate, Butyl Acetate, sec-Butyl Acetate, Isobutyl Acetate, tert-Butyl Acetate, and 2-Butanone, between (285 and 313) K
• Solubility of Naphthalene in Isobutyl Acetate, n-Butyric Acid, Ethyl Acetate, N-Methyl Pyrrolidone, N,N-Dimethylformamide, and Tetrahydrofuran
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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