Chemical Properties of Glutaric acid, 2-methylpent-3-yl trans-4-tert-butylcyclohexyl ester

InChI

InChI=1S/C21H38O4/c1-7-18(15(2)3)25-20(23)10-8-9-19(22)24-17-13-11-16(12-14-17)21(4,5)6/h15-18H,7-14H2,1-6H3

InChI Key

QVZJCFNTXDRNQP-UHFFFAOYSA-N

Formula

C21H38O4

SMILES

CCC(OC(=O)CCCC(=O)OC1CCC(C(C)(C)C)CC1)C(C)C

Molecular Weight¹

354.52

• 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_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
ΔfG°	-327.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-951.70	kJ/mol	Joback Calculated Property
ΔfusH°	34.17	kJ/mol	Joback Calculated Property
ΔvapH°	78.70	kJ/mol	Joback Calculated Property
log10WS	-5.73		Crippen Calculated Property
logPoct/wat	5.283		Crippen Calculated Property
McVol	310.770	ml/mol	McGowan Calculated Property
Pc	1160.87	kPa	Joback Calculated Property
Inp	[2356.00; 2356.00]
Inp	2356.00		NIST
Inp	2356.00		NIST
Tboil	843.23	K	Joback Calculated Property
Tc	1047.53	K	Joback Calculated Property
Tfus	446.31	K	Joback Calculated Property
Vc	1.169	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1032.49; 1130.44]	J/mol×K	[843.23; 1047.53]
Cp,gas	1032.49	J/mol×K	843.23	Joback Calculated Property
Cp,gas	1052.36	J/mol×K	877.28	Joback Calculated Property
Cp,gas	1070.75	J/mol×K	911.33	Joback Calculated Property
Cp,gas	1087.72	J/mol×K	945.38	Joback Calculated Property
Cp,gas	1103.30	J/mol×K	979.43	Joback Calculated Property
Cp,gas	1117.53	J/mol×K	1013.48	Joback Calculated Property
Cp,gas	1130.44	J/mol×K	1047.53	Joback Calculated Property
η	[0.0000408; 0.0012139]	Pa×s	[446.31; 843.23]
η	0.0012139	Pa×s	446.31	Joback Calculated Property
η	0.0004787	Pa×s	512.46	Joback Calculated Property
η	0.0002335	Pa×s	578.62	Joback Calculated Property
η	0.0001320	Pa×s	644.77	Joback Calculated Property
η	0.0000830	Pa×s	710.92	Joback Calculated Property
η	0.0000564	Pa×s	777.08	Joback Calculated Property
η	0.0000408	Pa×s	843.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-methylpent-3-yl trans-4-tert-butylcyclohexyl ester.

Sources

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

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