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
• Vinyl propanoate
• Vinyl propionate
• Vinylester kyseliny propionove

• 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).
• 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
ΔfG°	-154.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-265.90	kJ/mol	Joback Calculated Property
ΔfusH°	10.21	kJ/mol	Joback Calculated Property
ΔvapH°	35.21	kJ/mol	Joback Calculated Property
log10WS	-1.13		Crippen 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	3857.88	kPa	Joback Calculated Property
Inp	[648.00; 669.00]
Inp	650.00		NIST
Inp	648.00		NIST
Inp	669.00		NIST
I	960.00		NIST
Tboil	386.77	K	Joback Calculated Property
Tc	569.17	K	Joback Calculated Property
Tfus	216.51	K	Joback Calculated Property
Vc	0.321	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[149.35; 191.98]	J/mol×K	[386.77; 569.17]
Cp,gas	149.35	J/mol×K	386.77	Joback Calculated Property
Cp,gas	157.10	J/mol×K	417.17	Joback Calculated Property
Cp,gas	164.59	J/mol×K	447.57	Joback Calculated Property
Cp,gas	171.82	J/mol×K	477.97	Joback Calculated Property
Cp,gas	178.80	J/mol×K	508.37	Joback Calculated Property
Cp,gas	185.52	J/mol×K	538.77	Joback Calculated Property
Cp,gas	191.98	J/mol×K	569.17	Joback Calculated Property
η	[0.0002673; 0.0024241]	Pa×s	[216.51; 386.77]
η	0.0024241	Pa×s	216.51	Joback Calculated Property
η	0.0013568	Pa×s	244.89	Joback Calculated Property
η	0.0008567	Pa×s	273.26	Joback Calculated Property
η	0.0005898	Pa×s	301.64	Joback Calculated Property
η	0.0004330	Pa×s	330.02	Joback Calculated Property
η	0.0003338	Pa×s	358.39	Joback Calculated Property
η	0.0002673	Pa×s	386.77	Joback Calculated Property
n0	[1.40153; 1.40200]		[298.15; 298.20]
n0	1.40153		298.15	Density...
n0	1.40200		298.20	Ternary...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[279.61; 394.79]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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 Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.69744e+01
Coefficient B			-7.22230e+03
Coefficient C			-9.01552e+00
Coefficient D			4.22805e-06
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
• 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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