Chemical Properties of Methyl propionate (CAS 554-12-1)

InChI

InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3

InChI Key

RJUFJBKOKNCXHH-UHFFFAOYSA-N

Formula

C4H8O2

SMILES

CCC(=O)OC

Molecular Weight¹

88.11

CAS

554-12-1

Other Names

• C2H5COOCH3
• Methyl ester of propanoic acid
• Methyl propanoate
• Methyl propylate
• Methylester kyseliny propionove
• NSC 9375
• Propanoic acid, methyl ester
• Propionate de methyle
• Propionic acid, methyl ester
• UN 1248

• 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).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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 : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3489		Relay (1.0) Calculated Property
PAff	830.20	kJ/mol	NIST
BasG	799.20	kJ/mol	NIST
ΔcH°liquid	-2246.00	kJ/mol	NIST
ΔfG°	-251.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-432.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.90	kJ/mol	Joback Calculated Property
ΔvapH°	[32.30; 35.95]	kJ/mol
ΔvapH°	35.95	kJ/mol	NIST
ΔvapH°	34.50 ± 4.20	kJ/mol	NIST
ΔvapH°	35.82 ± 0.09	kJ/mol	NIST
ΔvapH°	32.30 ± 0.02	kJ/mol	NIST
IE	[9.90; 10.30]	eV
IE	10.15 ± 0.03	eV	NIST
IE	10.15	eV	NIST
IE	9.90 ± 0.20	eV	NIST
IE	10.15	eV	NIST
IE	10.15 ± 0.03	eV	NIST
IE	10.30	eV	NIST
log10WS	[-0.14; -0.14]
log10WS	-0.14		Aq. Solubility Prediction
log10WS	-0.14		Estimated Solubility
logPoct/wat	0.569		Crippen Calculated Property
McVol	74.660	ml/mol	McGowan Calculated Property
Pc	[4004.00; 4041.00]	kPa
Pc	4004.00 ± 101.32	kPa	NIST
Pc	4005.00 ± 40.00	kPa	NIST
Pc	4041.00 ± 101.32	kPa	NIST
Pc	4041.00 ± 101.32	kPa	NIST
ρc	[300.44; 312.33]	kg/m3
ρc	311.89 ± 9.69	kg/m3	NIST
ρc	312.33 ± 4.41	kg/m3	NIST
ρc	300.44 ± 9.69	kg/m3	NIST
ρc	300.44 ± 9.69	kg/m3	NIST
Inp	[600.00; 642.60]
Inp	615.20		NIST
Inp	Outlier 600.00		NIST
Inp	628.20		NIST
Inp	625.70		NIST
Inp	624.00		NIST
Inp	629.00		NIST
Inp	610.00		NIST
Inp	627.00		NIST
Inp	622.00		NIST
Inp	607.00		NIST
Inp	615.00		NIST
Inp	627.00		NIST
Inp	629.00		NIST
Inp	618.00		NIST
Inp	618.00		NIST
Inp	617.00		NIST
Inp	612.00		NIST
Inp	607.00		NIST
Inp	Outlier 600.00		NIST
Inp	610.00		NIST
Inp	617.00		NIST
Inp	627.00		NIST
Inp	627.00		NIST
Inp	614.00		NIST
Inp	611.60		NIST
Inp	621.00		NIST
Inp	615.00		NIST
Inp	613.00		NIST
Inp	621.00		NIST
Inp	611.00		NIST
Inp	626.00		NIST
Inp	618.00		NIST
Inp	Outlier 642.60		NIST
Inp	611.00		NIST
Inp	618.00		NIST
Inp	621.00		NIST
Inp	611.00		NIST
Inp	630.00		NIST
Inp	617.00		NIST
Inp	622.00		NIST
Inp	617.00		NIST
Inp	611.00		NIST
Inp	604.00		NIST
Inp	617.00		NIST
Inp	615.00		NIST
Inp	621.00		NIST
Inp	616.00		NIST
Inp	616.00		NIST
Inp	Outlier 639.00		NIST
Inp	Outlier 639.00		NIST
Inp	621.00		NIST
Inp	617.00		NIST
I	[872.00; 937.00]
I	Outlier 937.00		NIST
I	909.00		NIST
I	905.00		NIST
I	916.00		NIST
I	906.00		NIST
I	908.00		NIST
I	899.00		NIST
I	908.00		NIST
I	890.00		NIST
I	896.00		NIST
I	885.00		NIST
I	911.00		NIST
I	901.00		NIST
I	906.00		NIST
I	Outlier 872.00		NIST
I	Outlier 872.00		NIST
I	Outlier 872.00		NIST
I	896.00		NIST
I	904.00		NIST
I	904.00		NIST
I	905.00		NIST
I	905.00		NIST
I	911.00		NIST
I	896.00		NIST
I	900.00		NIST
I	885.00		NIST
I	905.00		NIST
I	910.00		NIST
I	906.00		NIST
I	904.00		NIST
I	908.00		NIST
I	885.00		NIST
I	Outlier 937.00		NIST
Tboil	[351.15; 353.70]	K
Tboil	352.65	K	Multiphase equilibria for mixtures containing water, acetic acid, propionic acid, methyl acetate and methyl propionate
Tboil	352.62	K	Experimental determination of vapor liquid equilibrium for methanol + methyl propionate + 1-butyl-3-methylimidazo-lium bis(trifluoromethylsulfonyl)imide at atmospheric pressure
Tboil	352.47	K	Isobaric Vapor-Liquid Phase Equilibrium Measurements for Allyl Alcohol with Chloroform, Ethyl Acetate, and Methyl Propionate at 101.3 kPa
Tboil	351.65	K	Isobaric Vapor-Liquid Equilibria and Excess Properties for the Binary Systems of Methyl Esters + Heptane
Tboil	351.65 ± 0.30	K	NIST
Tboil	353.10	K	NIST
Tboil	352.90	K	NIST
Tboil	352.85 ± 0.20	K	NIST
Tboil	352.53 ± 0.50	K	NIST
Tboil	352.91 ± 0.50	K	NIST
Tboil	352.15 ± 2.00	K	NIST
Tboil	352.65 ± 1.00	K	NIST
Tboil	352.70 ± 0.60	K	NIST
Tboil	353.65 ± 2.00	K	NIST
Tboil	353.15 ± 1.00	K	NIST
Tboil	Outlier 351.15 ± 10.00	K	NIST
Tboil	353.15 ± 1.00	K	NIST
Tboil	353.00 ± 2.00	K	NIST
Tboil	352.00 ± 2.00	K	NIST
Tboil	353.00 ± 0.50	K	NIST
Tboil	352.95 ± 1.00	K	NIST
Tboil	353.03 ± 0.50	K	NIST
Tboil	352.15 ± 1.00	K	NIST
Tboil	353.70 ± 0.30	K	NIST
Tboil	352.85 ± 0.50	K	NIST
Tboil	352.80 ± 0.50	K	NIST
Tboil	352.80 ± 0.50	K	NIST
Tboil	352.85 ± 0.50	K	NIST
Tboil	352.70 ± 1.00	K	NIST
Tc	520.98	K	Relay (1.0) Calculated Property
Tfus	[185.27; 185.65]	K
Tfus	185.27	K	Aq. Solubility Prediction
Tfus	185.65 ± 0.50	K	NIST
Vc	0.276	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[129.57; 168.41]	J/mol×K	[367.21; 546.48]
Cp,gas	129.57	J/mol×K	367.21	Joback Calculated Property
Cp,gas	136.49	J/mol×K	397.09	Joback Calculated Property
Cp,gas	143.24	J/mol×K	426.97	Joback Calculated Property
Cp,gas	149.81	J/mol×K	456.85	Joback Calculated Property
Cp,gas	156.20	J/mol×K	486.73	Joback Calculated Property
Cp,gas	162.40	J/mol×K	516.61	Joback Calculated Property
Cp,gas	168.41	J/mol×K	546.48	Joback Calculated Property
Cp,liquid	[171.20; 175.90]	J/mol×K	[298.15; 301.45]
Cp,liquid	171.21	J/mol×K	298.15	NIST
Cp,liquid	172.74	J/mol×K	298.15	NIST
Cp,liquid	171.20	J/mol×K	298.15	NIST
Cp,liquid	174.20	J/mol×K	298.15	NIST
Cp,liquid	175.90	J/mol×K	298.38	NIST
Cp,liquid	174.60	J/mol×K	301.45	NIST
η	[0.0002686; 0.0024835]	Pa×s	[207.00; 367.21]
η	0.0024835	Pa×s	207.00	Joback Calculated Property
η	0.0013870	Pa×s	233.70	Joback Calculated Property
η	0.0008729	Pa×s	260.40	Joback Calculated Property
η	0.0005988	Pa×s	287.11	Joback Calculated Property
η	0.0004380	Pa×s	313.81	Joback Calculated Property
η	0.0003364	Pa×s	340.51	Joback Calculated Property
η	0.0002686	Pa×s	367.21	Joback Calculated Property
ΔvapH	32.24	kJ/mol	352.90	NIST
Pvap	[101.30; 101.30]	kPa	[352.47; 352.65]
Pvap	101.30	kPa	352.47	Isobaric Vapor-Liquid Phase Equilibrium Measurements for Allyl Alcohol with Chloroform, Ethyl Acetate, and Methyl Propionate at 101.3 kPa
Pvap	101.30	kPa	352.62	Experimental determination of vapor liquid equilibrium for methanol + methyl propionate + 1-butyl-3-methylimidazo-lium bis(trifluoromethylsulfonyl)imide at atmospheric pressure
Pvap	101.30	kPa	352.65	Multiphase equilibria for mixtures containing water, acetic acid, propionic acid, methyl acetate and methyl propionate
n0	[1.36410; 1.37430]		[298.15; 318.15]
n0	1.37421		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	1.37400		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	1.37430		298.15	Improvements in the Experimentation and the Representation of Thermodynamic Properties (iso-p VLE and yE) of Alkyl Propanoate + Alkane Binaries
n0	1.36410		318.15	Thermodynamic properties of (an ester + and alkane). XVII. Experimental He and Ve values for (an alkyl propanoate + an alkane) at 318.15K
n0	1.36410		318.15	Excess Properties and Isobaric Vapor-Liquid Equilibria for Binary Mixtures of Methyl Esters + tert-Butanol
ρl	909.30	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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[259.99; 375.95]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45878e+01
Coefficient B			-3.06195e+03
Coefficient C			-4.58670e+01
Temperature range, min.			259.99
Temperature range, max.			375.95
Pvap	1.33	kPa	259.99	Calculated Property
Pvap	3.00	kPa	272.87	Calculated Property
Pvap	6.20	kPa	285.76	Calculated Property
Pvap	11.88	kPa	298.64	Calculated Property
Pvap	21.37	kPa	311.53	Calculated Property
Pvap	36.42	kPa	324.41	Calculated Property
Pvap	59.21	kPa	337.30	Calculated Property
Pvap	92.39	kPa	350.18	Calculated Property
Pvap	139.03	kPa	363.07	Calculated Property
Pvap	202.65	kPa	375.95	Calculated Property
Pvap	[6.36e-04; 3916.85]	kPa	[185.65; 530.60]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.37412e+01
Coefficient B			-7.00860e+03
Coefficient C			-1.02625e+01
Coefficient D			7.55664e-06
Temperature range, min.			185.65
Temperature range, max.			530.60
Pvap	6.36e-04	kPa	185.65	Calculated Property
Pvap	0.07	kPa	223.98	Calculated Property
Pvap	1.47	kPa	262.31	Calculated Property
Pvap	12.87	kPa	300.63	Calculated Property
Pvap	63.10	kPa	338.96	Calculated Property
Pvap	211.31	kPa	377.29	Calculated Property
Pvap	546.28	kPa	415.62	Calculated Property
Pvap	1180.29	kPa	453.94	Calculated Property
Pvap	2248.03	kPa	492.27	Calculated Property
Pvap	3916.85	kPa	530.60	Calculated Property

Similar Compounds

Find more compounds similar to Methyl propionate.

Mixtures

• Acetic acid + Methyl propionate
• Methyl propionate + Propanoic acid
• Methyl propionate + Acetic acid, methyl ester
• Methyl propionate + Water
• Methyl propionate + Acetic acid, methyl ester + Water
• Propane, 1,2-dichloro- + Methyl propionate
• Methyl propionate + Heptane
• Methyl propionate + Nonane
• Undecane + Methyl propionate
• Tridecane + Methyl propionate
• Pentadecane + Methyl propionate
• Heptadecane + Methyl propionate
• Ethane, 1,2-dibromo- + Methyl propionate
• Propane, 1,3-dibromo- + Methyl propionate
• Methyl propionate + Butane, 1,4-dibromo-
• Pentane, 1,5-dibromo- + Methyl propionate
• Hexane, 1,6-dibromo- + Methyl propionate
• Methyl propionate + Methyl Alcohol
• 2-Propen-1-ol + Methyl propionate
• Methyl propionate + 1,4-Benzenedicarboxylic acid, dimethyl ester

Find more mixtures with Methyl propionate.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Multiphase equilibria for mixtures containing water, acetic acid, propionic acid, methyl acetate and methyl propionate
• 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
• Experimental determination and calculation of the critical curves for the binary systems of CO2 containing ketone, alkane, ester and alcohol, respectively
• Solubility of ethylene in methyl propionate
• 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
• Bubble point pressures of binary system of methanol and methyl propionate
• 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
• 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 properties of (an ester + and alkane). XVII. Experimental He and Ve values for (an alkyl propanoate + an alkane) at 318.15K
• 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
• 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
• Low pressure carbon dioxide solubility in pure electrolyte solvents for lithium-ion batteries as a function of temperature. Measurement and prediction
• 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
• Isothermal (vapour + liquid) equilibria for the binary systems of (carbon monoxide + methyl propionate) and (carbon monoxide + ethyl propionate)
• 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
• The use of ionic liquids for separation of binary hydrocarbons mixtures based on gamma infinity data measurements
• Experimental determination of vapor liquid equilibrium for methanol + methyl propionate + 1-butyl-3-methylimidazo-lium bis(trifluoromethylsulfonyl)imide at atmospheric pressure
• Isobaric Vapor-Liquid Phase Equilibrium Measurements for Allyl Alcohol with Chloroform, Ethyl Acetate, and Methyl Propionate at 101.3 kPa
• Solubility and Thermodynamic Modeling of Dimethyl Terephthalate in Pure Solvents and the Evaluation of the Mixing Properties of the Solutions
• 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
• Experimental Study of Thermodynamic Properties of Mixtures Containing Ionic Liquid 1-Ethyl-3-methylimidazolium Ethyl Sulfate Using Gas-Liquid Chromatography and Transpiration Method
• Improvements in the Experimentation and the Representation of Thermodynamic Properties (iso-p VLE and yE) of Alkyl Propanoate + Alkane Binaries
• Vapor-Liquid Equilibrium Data of (Carbon Dioxide + Methyl Propionate) and (Carbon Dioxide + Propyl Propionate) at Pressures from (1.00 to 12.00) MPa and Temperatures from (313.0 to 373.0) K
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.