Chemical Properties of Cyclohexanecarboxylic acid, methyl ester (CAS 4630-82-4)

InChI

InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3

InChI Key

ZQWPRMPSCMSAJU-UHFFFAOYSA-N

Formula

C8H14O2

SMILES

COC(=O)C1CCCCC1

Molecular Weight¹

142.20

CAS

4630-82-4

Other Names

• Hexahydrobenzoic acid methyl ester
• Methyl cyclohexanecarboxylate
• Methyl cyclohexanoate
• Methyl cyclohexylcarboxylate
• Methyl ester of cyclohexanecarboxylic acid
• c-C6H11COOCH3

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• 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_boilr : Boiling point at reduced pressure (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	0.3623		Relay (... Calculated Property
PAff	846.20	kJ/mol	NIST
BasG	815.30	kJ/mol	NIST
ΔfG°	-192.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-440.43	kJ/mol	Relay (... Calculated Property
ΔfusH°	11.10	kJ/mol	Joback Calculated Property
ΔvapH°	52.31	kJ/mol	Relay (... Calculated Property
IE	9.92	eV	Relay (... Calculated Property
log10WS	-2.06		Relay (... Calculated Property
logPoct/wat	1.740		Crippen Calculated Property
McVol	120.160	ml/mol	McGowan Calculated Property
Pc	3322.01	kPa	Joback Calculated Property
Inp	[1005.00; 1057.00]
Inp	1005.17		NIST
Inp	1009.57		NIST
Inp	1051.00		NIST
Inp	1056.00		NIST
Inp	1005.00		NIST
Inp	1011.00		NIST
Inp	1011.00		NIST
Inp	1050.00		NIST
Inp	1057.00		NIST
Inp	1057.00		NIST
Inp	1005.17		NIST
Inp	1011.00		NIST
I	[1373.00; 1414.00]
I	1385.00		NIST
I	1399.00		NIST
I	1414.00		NIST
I	1373.00		NIST
I	1384.00		NIST
I	1385.00		NIST
Tboil	[456.20; 456.20]	K
Tboil	456.20	K	NIST
Tboil	456.20 ± 1.00	K	NIST
Tc	670.33	K	Relay (... Calculated Property
Tfus	253.96	K	Relay (... Calculated Property
Vc	0.415	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[263.26; 348.27]	J/mol×K	[478.28; 689.84]
Cp,gas	263.26	J/mol×K	478.28	Joback Calculated Property
Cp,gas	279.37	J/mol×K	513.54	Joback Calculated Property
Cp,gas	294.69	J/mol×K	548.80	Joback Calculated Property
Cp,gas	309.24	J/mol×K	584.06	Joback Calculated Property
Cp,gas	323.01	J/mol×K	619.32	Joback Calculated Property
Cp,gas	336.02	J/mol×K	654.58	Joback Calculated Property
Cp,gas	348.27	J/mol×K	689.84	Joback Calculated Property
η	[0.0002788; 0.0043366]	Pa×s	[259.46; 478.28]
η	0.0043366	Pa×s	259.46	Joback Calculated Property
η	0.0020707	Pa×s	295.93	Joback Calculated Property
η	0.0011629	Pa×s	332.40	Joback Calculated Property
η	0.0007320	Pa×s	368.87	Joback Calculated Property
η	0.0005008	Pa×s	405.34	Joback Calculated Property
η	0.0003648	Pa×s	441.81	Joback Calculated Property
η	0.0002788	Pa×s	478.28	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Cyclohexanecarboxylic acid, methyl ester.

Sources

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

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