Chemical Properties of Glutaric acid, (2-methylcyclohex-1-enyl)methyl cyclohexylmethyl ester

InChI

InChI=1S/C20H32O4/c1-16-8-5-6-11-18(16)15-24-20(22)13-7-12-19(21)23-14-17-9-3-2-4-10-17/h17H,2-15H2,1H3

InChI Key

FORLWRMUCYQMGW-UHFFFAOYSA-N

Formula

C20H32O4

SMILES

CC1=C(COC(=O)CCCC(=O)OCC2CCCCC2)CCCC1

Molecular Weight¹

336.47

• ω : Acentric Factor.
• 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.
• 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	0.7625		Relay (1.0) Calculated Property
ΔfG°	-283.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-905.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.17	kJ/mol	Joback Calculated Property
ΔvapH°	98.38	kJ/mol	Relay (1.0) Calculated Property
IE	8.42	eV	Relay (1.0) Calculated Property
log10WS	-4.31		Relay (1.0) Calculated Property
logPoct/wat	4.714		Crippen Calculated Property
McVol	281.520	ml/mol	McGowan Calculated Property
Pc	1482.71	kPa	Joback Calculated Property
Inp	[2515.00; 2515.00]
Inp	2515.00		NIST
Inp	2515.00		NIST
Tboil	663.85	K	Relay (1.0) Calculated Property
Tc	863.27	K	Relay (1.0) Calculated Property
Tfus	305.06	K	Relay (1.0) Calculated Property
Vc	1.023	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[930.44; 1018.06]	J/mol×K	[862.47; 1079.46]
Cp,gas	930.44	J/mol×K	862.47	Joback Calculated Property
Cp,gas	948.89	J/mol×K	898.63	Joback Calculated Property
Cp,gas	965.77	J/mol×K	934.80	Joback Calculated Property
Cp,gas	981.09	J/mol×K	970.96	Joback Calculated Property
Cp,gas	994.90	J/mol×K	1007.13	Joback Calculated Property
Cp,gas	1007.21	J/mol×K	1043.29	Joback Calculated Property
Cp,gas	1018.06	J/mol×K	1079.46	Joback Calculated Property
η	[0.0000485; 0.0006927]	Pa×s	[504.28; 862.47]
η	0.0006927	Pa×s	504.28	Joback Calculated Property
η	0.0003517	Pa×s	563.98	Joback Calculated Property
η	0.0002034	Pa×s	623.68	Joback Calculated Property
η	0.0001294	Pa×s	683.38	Joback Calculated Property
η	0.0000885	Pa×s	743.07	Joback Calculated Property
η	0.0000641	Pa×s	802.77	Joback Calculated Property
η	0.0000485	Pa×s	862.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, (2-methylcyclohex-1-enyl)methyl cyclohexylmethyl ester.

Sources

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

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