Chemical Properties of 2-Pentenoic acid, 3-methyl-, methyl ester (CAS 50652-79-4)

InChI

InChI=1S/C7H12O2/c1-4-6(2)5-7(8)9-3/h5H,4H2,1-3H3/b6-5+

InChI Key

SLQFYMAWZYTVFZ-AATRIKPKSA-N

Formula

C7H12O2

SMILES

CCC(C)=CC(=O)OC

Molecular Weight¹

128.17

CAS

50652-79-4

Other Names

• Methyl 3-methyl-2-pentenoate

• C_p,gas : Ideal gas heat capacity (J/mol×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).
• 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_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°	-154.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-325.18	kJ/mol	Joback Calculated Property
ΔfusH°	15.56	kJ/mol	Joback Calculated Property
ΔvapH°	40.37	kJ/mol	Joback Calculated Property
log10WS	-1.47		Crippen Calculated Property
logPoct/wat	1.516		Crippen Calculated Property
McVol	112.630	ml/mol	McGowan Calculated Property
Pc	3131.49	kPa	Joback Calculated Property
Inp	[926.00; 926.00]
Inp	926.00		NIST
Inp	926.00		NIST
I	[1252.00; 1262.00]
I	1262.00		NIST
I	1252.00		NIST
I	1262.00		NIST
Tboil	439.89	K	Joback Calculated Property
Tc	628.49	K	Joback Calculated Property
Tfus	221.77	K	Joback Calculated Property
Vc	0.432	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[222.62; 281.54]	J/mol×K	[439.89; 628.49]
Cp,gas	222.62	J/mol×K	439.89	Joback Calculated Property
Cp,gas	233.55	J/mol×K	471.32	Joback Calculated Property
Cp,gas	244.02	J/mol×K	502.76	Joback Calculated Property
Cp,gas	254.05	J/mol×K	534.19	Joback Calculated Property
Cp,gas	263.64	J/mol×K	565.63	Joback Calculated Property
Cp,gas	272.80	J/mol×K	597.06	Joback Calculated Property
Cp,gas	281.54	J/mol×K	628.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentenoic acid, 3-methyl-, methyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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