Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, 3-methylbutyl tetradecyl ester

InChI

InChI=1S/C27H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-17-21-30-26(28)24-18-15-16-19-25(24)27(29)31-22-20-23(2)3/h15-16,23-25H,4-14,17-22H2,1-3H3

InChI Key

GDPNHIIFVXUVBX-UHFFFAOYSA-N

Formula

C27H48O4

SMILES

CCCCCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OCCC(C)C

Molecular Weight¹

436.67

• 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°	-247.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-1003.73	kJ/mol	Joback Calculated Property
ΔfusH°	61.86	kJ/mol	Joback Calculated Property
ΔvapH°	94.03	kJ/mol	Joback Calculated Property
log10WS	-7.87		Crippen Calculated Property
logPoct/wat	7.402		Crippen Calculated Property
McVol	391.010	ml/mol	McGowan Calculated Property
Pc	815.39	kPa	Joback Calculated Property
Inp	[2948.00; 2948.00]
Inp	2948.00		NIST
Inp	2948.00		NIST
Tboil	983.34	K	Joback Calculated Property
Tc	1205.22	K	Joback Calculated Property
Tfus	527.27	K	Joback Calculated Property
Vc	1.508	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1379.25; 1469.30]	J/mol×K	[983.34; 1205.22]
Cp,gas	1379.25	J/mol×K	983.34	Joback Calculated Property
Cp,gas	1398.80	J/mol×K	1020.32	Joback Calculated Property
Cp,gas	1416.47	J/mol×K	1057.30	Joback Calculated Property
Cp,gas	1432.30	J/mol×K	1094.28	Joback Calculated Property
Cp,gas	1446.35	J/mol×K	1131.26	Joback Calculated Property
Cp,gas	1458.67	J/mol×K	1168.24	Joback Calculated Property
Cp,gas	1469.30	J/mol×K	1205.22	Joback Calculated Property
η	[0.0000254; 0.0005083]	Pa×s	[527.27; 983.34]
η	0.0005083	Pa×s	527.27	Joback Calculated Property
η	0.0002251	Pa×s	603.28	Joback Calculated Property
η	0.0001197	Pa×s	679.29	Joback Calculated Property
η	0.0000722	Pa×s	755.31	Joback Calculated Property
η	0.0000478	Pa×s	831.32	Joback Calculated Property
η	0.0000339	Pa×s	907.33	Joback Calculated Property
η	0.0000254	Pa×s	983.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, 3-methylbutyl tetradecyl ester.

Sources

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

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