Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, phenethyl undecyl ester

InChI

InChI=1S/C27H40O4/c1-2-3-4-5-6-7-8-9-15-21-30-26(28)24-18-13-14-19-25(24)27(29)31-22-20-23-16-11-10-12-17-23/h10-14,16-17,24-25H,2-9,15,18-22H2,1H3

InChI Key

DFTHPDUCEITGAZ-UHFFFAOYSA-N

Formula

C27H40O4

SMILES

CCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OCCc1ccccc1

Molecular Weight¹

428.60

• 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°	-132.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-761.92	kJ/mol	Joback Calculated Property
ΔfusH°	59.43	kJ/mol	Joback Calculated Property
ΔvapH°	96.70	kJ/mol	Joback Calculated Property
log10WS	-7.22		Crippen Calculated Property
logPoct/wat	6.429		Crippen Calculated Property
McVol	367.250	ml/mol	McGowan Calculated Property
Pc	989.51	kPa	Joback Calculated Property
Inp	[3128.00; 3128.00]
Inp	3128.00		NIST
Inp	3128.00		NIST
Tboil	1010.46	K	Joback Calculated Property
Tc	1237.47	K	Joback Calculated Property
Tfus	568.69	K	Joback Calculated Property
Vc	1.405	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1274.06; 1346.43]	J/mol×K	[1010.46; 1237.47]
Cp,gas	1274.06	J/mol×K	1010.46	Joback Calculated Property
Cp,gas	1290.36	J/mol×K	1048.29	Joback Calculated Property
Cp,gas	1304.88	J/mol×K	1086.13	Joback Calculated Property
Cp,gas	1317.68	J/mol×K	1123.96	Joback Calculated Property
Cp,gas	1328.83	J/mol×K	1161.80	Joback Calculated Property
Cp,gas	1338.39	J/mol×K	1199.63	Joback Calculated Property
Cp,gas	1346.43	J/mol×K	1237.47	Joback Calculated Property
η	[0.0000290; 0.0003970]	Pa×s	[568.69; 1010.46]
η	0.0003970	Pa×s	568.69	Joback Calculated Property
η	0.0001999	Pa×s	642.32	Joback Calculated Property
η	0.0001159	Pa×s	715.95	Joback Calculated Property
η	0.0000744	Pa×s	789.58	Joback Calculated Property
η	0.0000515	Pa×s	863.20	Joback Calculated Property
η	0.0000378	Pa×s	936.83	Joback Calculated Property
η	0.0000290	Pa×s	1010.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, phenethyl undecyl ester.

Sources

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

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