Chemical Properties of 3-Cyclohexene-1-carboxylic acid, 4-methyl-, methyl ester (CAS 6493-79-4)

InChI

InChI=1S/C9H14O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3,8H,4-6H2,1-2H3

InChI Key

JNDBPUPULVCVFC-UHFFFAOYSA-N

Formula

C9H14O2

SMILES

COC(=O)C1CC=C(C)CC1

Molecular Weight¹

154.21

CAS

6493-79-4

Other Names

• Methyl 4-methyl-3-cyclohexene-1-carboxylate
• 4-Methoxycarbonyl-1-methylcyclohexene
• 1-carbomethoxy-4-methylcyclohex-3-ene

• 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).
• P_c : Critical Pressure (kPa).
• 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°	-164.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-373.26	kJ/mol	Joback Calculated Property
ΔfusH°	14.52	kJ/mol	Joback Calculated Property
ΔvapH°	46.17	kJ/mol	Joback Calculated Property
log10WS	-1.96		Crippen Calculated Property
logPoct/wat	1.906		Crippen Calculated Property
McVol	129.950	ml/mol	McGowan Calculated Property
Pc	3052.41	kPa	Joback Calculated Property
I	[1557.70; 1586.90]
I	1557.70		NIST
I	1586.90		NIST
I	1557.70		NIST
Tboil	505.30	K	Joback Calculated Property
Tc	717.03	K	Joback Calculated Property
Tfus	284.01	K	Joback Calculated Property
Vc	0.482	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[291.84; 373.48]	J/mol×K	[505.30; 717.03]
Cp,gas	291.84	J/mol×K	505.30	Joback Calculated Property
Cp,gas	307.31	J/mol×K	540.59	Joback Calculated Property
Cp,gas	322.04	J/mol×K	575.88	Joback Calculated Property
Cp,gas	336.01	J/mol×K	611.16	Joback Calculated Property
Cp,gas	349.24	J/mol×K	646.45	Joback Calculated Property
Cp,gas	361.73	J/mol×K	681.74	Joback Calculated Property
Cp,gas	373.48	J/mol×K	717.03	Joback Calculated Property
η	[0.0002497; 0.0025360]	Pa×s	[284.01; 505.30]
η	0.0025360	Pa×s	284.01	Joback Calculated Property
η	0.0013801	Pa×s	320.89	Joback Calculated Property
η	0.0008515	Pa×s	357.77	Joback Calculated Property
η	0.0005749	Pa×s	394.65	Joback Calculated Property
η	0.0004152	Pa×s	431.54	Joback Calculated Property
η	0.0003156	Pa×s	468.42	Joback Calculated Property
η	0.0002497	Pa×s	505.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Cyclohexene-1-carboxylic acid, 4-methyl-, methyl ester.

Sources

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

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