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

428.61

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	1.0216		Relay (1.0) Calculated Property
ΔfusH°	62.59	kJ/mol	Joback Calculated Property
ΔvapH°	129.13	kJ/mol	Relay (1.0) Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	-6.52		Relay (1.0) Calculated Property
logPoct/wat	6.429		Crippen Calculated Property
McVol	367.250	ml/mol	McGowan Calculated Property
Pc	940.37	kPa	Joback Calculated Property
Inp	[3128.00; 3128.00]
Inp	3128.00		NIST
Inp	3128.00		NIST
Tboil	694.96	K	Relay (1.0) Calculated Property
Tc	915.25	K	Relay (1.0) Calculated Property
Tfus	302.46	K	Relay (1.0) Calculated Property
Vc	1.335	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1258.73; 1332.03]	J/mol×K	[974.52; 1194.34]
Cp,gas	1258.73	J/mol×K	974.52	Joback Calculated Property
Cp,gas	1275.25	J/mol×K	1011.16	Joback Calculated Property
Cp,gas	1289.97	J/mol×K	1047.79	Joback Calculated Property
Cp,gas	1302.94	J/mol×K	1084.43	Joback Calculated Property
Cp,gas	1314.24	J/mol×K	1121.07	Joback Calculated Property
Cp,gas	1323.91	J/mol×K	1157.70	Joback Calculated Property
Cp,gas	1332.03	J/mol×K	1194.34	Joback Calculated Property
η	[0.0000217; 0.0005499]	Pa×s	[509.03; 974.52]
η	0.0005499	Pa×s	509.03	Joback Calculated Property
η	0.0002246	Pa×s	586.61	Joback Calculated Property
η	0.0001131	Pa×s	664.19	Joback Calculated Property
η	0.0000657	Pa×s	741.78	Joback Calculated Property
η	0.0000423	Pa×s	819.36	Joback Calculated Property
η	0.0000294	Pa×s	896.94	Joback Calculated Property
η	0.0000217	Pa×s	974.52	Joback Calculated Property

Similar Compounds

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

Sources

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

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