Chemical Properties of Propanoic acid, ethenyl ester (CAS 105-38-4)

InChI

InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3

InChI Key

UIWXSTHGICQLQT-UHFFFAOYSA-N

Formula

C5H8O2

SMILES

C=COC(=O)CC

Molecular Weight¹

100.12

CAS

105-38-4

Other Names

• Propionic acid, vinyl ester
• Vinylester kyseliny propionove
• vinyl propanoate
• vinyl propionate

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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).
• 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.
• 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	0.4408		Relay (1.0) Calculated Property
ΔfG°	-231.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-332.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.79	kJ/mol	Joback Calculated Property
ΔvapH°	36.39	kJ/mol	Relay (1.0) Calculated Property
IE	9.27	eV	Relay (1.0) Calculated Property
log10WS	-0.56		Relay (1.0) Calculated Property
logPoct/wat	1.083		Crippen Calculated Property
McVol	84.450	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	2		KDB
NFPA Safety	2		KDB
Pc	3668.65	kPa	Joback Calculated Property
Inp	[648.00; 669.00]
Inp	648.00		NIST
Inp	648.00		NIST
Inp	669.00		NIST
Inp	650.00		NIST
Inp	650.00		NIST
Inp	648.00		NIST
Inp	669.00		NIST
I	[960.00; 960.00]
I	960.00		NIST
I	960.00		NIST
Tboil	365.60	K	Relay (1.0) Calculated Property
Tc	543.34	K	Relay (1.0) Calculated Property
Tfus	192.07 ± 0.60	K	NIST
Vc	0.313	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	36.70	kJ/mol	344.50	NIST
n0	[1.40153; 1.40200]		[298.15; 298.20]
n0	1.40153		298.15	Density, Refractive Index, Speed of Sound, and Vapor-Liquid Equilibria for Binary Mixtures of Methanol + Vinyl Propionate and Vinyl Acetate + Vinyl Propionate. Vapor Pressures of Vinyl Propionate
n0	1.40200		298.20	Ternary liquid liquid equilibria for mixtures of an ionic liquid + n-hexane + an organic compound involved in the kinetic resolution of rac-1-phenyl ethanol (rac-1-phenyl ethanol, vinyl propionate, rac-1-phenylethyl propionate or propionic acid) at 298.2K and atmospheric pressure

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[118.08; 256.88]	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			2.07610e+01
Coefficient B			4.04020e-01
Coefficient C			-1.76500e-04
Coefficient D			8.60000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	118.08	J/mol×K	273.00	Calculated Property
Cp,gas	141.98	J/mol×K	353.78	Calculated Property
Cp,gas	163.71	J/mol×K	434.56	Calculated Property
Cp,gas	183.27	J/mol×K	515.33	Calculated Property
Cp,gas	200.70	J/mol×K	596.11	Calculated Property
Cp,gas	216.04	J/mol×K	676.89	Calculated Property
Cp,gas	229.29	J/mol×K	757.67	Calculated Property
Cp,gas	240.50	J/mol×K	838.44	Calculated Property
Cp,gas	249.69	J/mol×K	919.22	Calculated Property
Cp,gas	256.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040730; 0.0002312]	Pa×s	[192.07; 382.83]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.12607e+01
Coefficient B			1.10580e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			192.07
Temperature range, max.			382.83
η	0.0040730	Pa×s	192.07	Calculated Property
η	0.0022983	Pa×s	213.27	Calculated Property
η	0.0014383	Pa×s	234.46	Calculated Property
η	0.0009728	Pa×s	255.66	Calculated Property
η	0.0006986	Pa×s	276.85	Calculated Property
η	0.0005258	Pa×s	298.05	Calculated Property
η	0.0004110	Pa×s	319.24	Calculated Property
η	0.0003313	Pa×s	340.44	Calculated Property
η	0.0002739	Pa×s	361.64	Calculated Property
η	0.0002312	Pa×s	382.83	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[279.61; 394.79]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.30096e+01
Coefficient B			-2.24538e+03
Coefficient C			-1.03115e+02
Temperature range, min.			279.61
Temperature range, max.			394.79
Pvap	1.33	kPa	279.61	Calculated Property
Pvap	3.15	kPa	292.41	Calculated Property
Pvap	6.68	kPa	305.21	Calculated Property
Pvap	12.94	kPa	318.00	Calculated Property
Pvap	23.29	kPa	330.80	Calculated Property
Pvap	39.36	kPa	343.60	Calculated Property
Pvap	63.08	kPa	356.40	Calculated Property
Pvap	96.63	kPa	369.19	Calculated Property
Pvap	142.32	kPa	381.99	Calculated Property
Pvap	202.63	kPa	394.79	Calculated Property
Pvap	[4.42; 3589.76]	kPa	[293.15; 546.00]	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			7.69744e+01
Coefficient B			-7.22230e+03
Coefficient C			-9.01552e+00
Coefficient D			4.22805e-06
Coefficient E			0.00000e+00
Temperature range, min.			293.15
Temperature range, max.			546.00
Pvap	4.42	kPa	293.15	Calculated Property
Pvap	17.98	kPa	321.24	Calculated Property
Pvap	55.75	kPa	349.34	Calculated Property
Pvap	141.01	kPa	377.43	Calculated Property
Pvap	304.97	kPa	405.53	Calculated Property
Pvap	583.99	kPa	433.62	Calculated Property
Pvap	1016.10	kPa	461.72	Calculated Property
Pvap	1638.32	kPa	489.81	Calculated Property
Pvap	2485.35	kPa	517.91	Calculated Property
Pvap	3589.76	kPa	546.00	Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, ethenyl ester.

Mixtures

• Methyl Alcohol + Propanoic acid, ethenyl ester
• Acetic acid ethenyl ester + Propanoic acid, ethenyl ester

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Ternary liquid liquid equilibria for mixtures of an ionic liquid + n-hexane + an organic compound involved in the kinetic resolution of rac-1-phenyl ethanol (rac-1-phenyl ethanol, vinyl propionate, rac-1-phenylethyl propionate or propionic acid) at 298.2K and atmospheric pressure
• Density, Refractive Index, Speed of Sound, and Vapor-Liquid Equilibria for Binary Mixtures of Methanol + Vinyl Propionate and Vinyl Acetate + Vinyl Propionate. Vapor Pressures of Vinyl Propionate
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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