Chemical Properties of 2-Propenoic acid, 2-methyl-, ethenyl ester (CAS 4245-37-8)

InChI

InChI=1S/C6H8O2/c1-4-8-6(7)5(2)3/h4H,1-2H2,3H3

InChI Key

FFYWKOUKJFCBAM-UHFFFAOYSA-N

Formula

C6H8O2

SMILES

C=COC(=O)C(=C)C

Molecular Weight¹

112.13

CAS

4245-37-8

Other Names

• 1-ethenyl-2-methyl-2-propenoate
• 2-Methyl-2-propenoic acid, ethenyl ester
• Methacrylic acid, vinyl ester
• Vinyl methacrylate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• I_p : 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	0.4567		Relay (1.0) Calculated Property
ΔfH°gas	-247.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.79	kJ/mol	Joback Calculated Property
ΔvapH°	39.56	kJ/mol	Relay (1.0) Calculated Property
IE	9.31	eV	Relay (1.0) Calculated Property
log10WS	-1.10		Relay (1.0) Calculated Property
logPoct/wat	1.249		Crippen Calculated Property
McVol	94.240	ml/mol	McGowan Calculated Property
Pc	3460.21	kPa	Joback Calculated Property
Ip	[1540.00; 1540.00]
Ip	1540.00		NIST
Ip	1540.00		NIST
Tboil	387.35	K	Relay (1.0) Calculated Property
Tc	573.65	K	Relay (1.0) Calculated Property
Tfus	211.43	K	Relay (1.0) Calculated Property
Vc	0.349	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[129.64; 279.69]	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			1.71700e+01
Coefficient B			4.78920e-01
Coefficient C			-2.56100e-04
Coefficient D			3.97000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	129.64	J/mol×K	273.00	Calculated Property
Cp,gas	156.31	J/mol×K	353.78	Calculated Property
Cp,gas	180.18	J/mol×K	434.56	Calculated Property
Cp,gas	201.39	J/mol×K	515.33	Calculated Property
Cp,gas	220.06	J/mol×K	596.11	Calculated Property
Cp,gas	236.32	J/mol×K	676.89	Calculated Property
Cp,gas	250.28	J/mol×K	757.67	Calculated Property
Cp,gas	262.08	J/mol×K	838.44	Calculated Property
Cp,gas	271.84	J/mol×K	919.22	Calculated Property
Cp,gas	279.69	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenoic acid, 2-methyl-, ethenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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