Chemical Properties of 5-Hexenoic acid, methyl ester (CAS 2396-80-7)

InChI

InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h3H,1,4-6H2,2H3

InChI Key

ASKDFGVMJZMYEM-UHFFFAOYSA-N

Formula

C7H12O2

SMILES

C=CCCCC(=O)OC

Molecular Weight¹

128.17

CAS

2396-80-7

Other Names

• Methyl 5-hexenoate
• Methyl ester of 5-hexenoic acid

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_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	0.4197		Relay (1.0) Calculated Property
ΔfH°gas	-373.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.98	kJ/mol	Joback Calculated Property
ΔvapH°	50.38	kJ/mol	Relay (1.0) Calculated Property
IE	9.66	eV	Relay (1.0) Calculated Property
log10WS	-1.50		Relay (1.0) Calculated Property
logPoct/wat	1.516		Crippen Calculated Property
McVol	112.630	ml/mol	McGowan Calculated Property
Pc	2944.08	kPa	Joback Calculated Property
Inp	[894.00; 894.00]
Inp	894.00		NIST
Inp	894.00		NIST
Inp	894.00		NIST
I	[1223.00; 1226.00]
I	1226.00		NIST
I	1223.00		NIST
I	1226.00		NIST
I	1223.00		NIST
I	1224.00		NIST
Tboil	415.29	K	Relay (1.0) Calculated Property
Tc	609.97	K	Relay (1.0) Calculated Property
Tfus	196.02	K	Relay (1.0) Calculated Property
Vc	0.409	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.51; 277.05]	J/mol×K	[414.66; 591.01]
Cp,gas	218.51	J/mol×K	414.66	Joback Calculated Property
Cp,gas	229.30	J/mol×K	444.05	Joback Calculated Property
Cp,gas	239.67	J/mol×K	473.44	Joback Calculated Property
Cp,gas	249.62	J/mol×K	502.83	Joback Calculated Property
Cp,gas	259.17	J/mol×K	532.23	Joback Calculated Property
Cp,gas	268.31	J/mol×K	561.62	Joback Calculated Property
Cp,gas	277.05	J/mol×K	591.01	Joback Calculated Property
η	[0.0002508; 0.0053740]	Pa×s	[209.22; 414.66]
η	0.0053740	Pa×s	209.22	Joback Calculated Property
η	0.0022516	Pa×s	243.46	Joback Calculated Property
η	0.0011691	Pa×s	277.70	Joback Calculated Property
η	0.0007010	Pa×s	311.94	Joback Calculated Property
η	0.0004651	Pa×s	346.18	Joback Calculated Property
η	0.0003322	Pa×s	380.42	Joback Calculated Property
η	0.0002508	Pa×s	414.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Hexenoic acid, methyl ester.

Sources

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

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