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

InChI

InChI=1S/C29H43ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-33-28(31)25-17-14-15-18-26(25)29(32)34-24-19-20-27(30)23(2)22-24/h14-15,19-20,22,25-26H,3-13,16-18,21H2,1-2H3

InChI Key

VPETZAJLOSQPPE-UHFFFAOYSA-N

Formula

C29H43ClO4

SMILES

CCCCCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)Oc1ccc(Cl)c(C)c1

Molecular Weight¹

491.10

• 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	1.1298		Relay (1.0) Calculated Property
ΔfG°	-146.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-916.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.03	kJ/mol	Joback Calculated Property
ΔvapH°	138.55	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-8.20		Relay (1.0) Calculated Property
logPoct/wat	8.381		Crippen Calculated Property
McVol	407.670	ml/mol	McGowan Calculated Property
Pc	846.03	kPa	Joback Calculated Property
Inp	[3528.00; 3528.00]
Inp	3528.00		NIST
Inp	3528.00		NIST
Tboil	715.16	K	Relay (1.0) Calculated Property
Tc	952.90	K	Relay (1.0) Calculated Property
Tfus	344.50	K	Relay (1.0) Calculated Property
Vc	1.476	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1419.65; 1474.02]	J/mol×K	[1103.61; 1353.75]
Cp,gas	1419.65	J/mol×K	1103.61	Joback Calculated Property
Cp,gas	1433.83	J/mol×K	1145.30	Joback Calculated Property
Cp,gas	1445.86	J/mol×K	1186.99	Joback Calculated Property
Cp,gas	1455.82	J/mol×K	1228.68	Joback Calculated Property
Cp,gas	1463.78	J/mol×K	1270.37	Joback Calculated Property
Cp,gas	1469.82	J/mol×K	1312.06	Joback Calculated Property
Cp,gas	1474.02	J/mol×K	1353.75	Joback Calculated Property
η	[0.0000191; 0.0001996]	Pa×s	[646.19; 1103.61]
η	0.0001996	Pa×s	646.19	Joback Calculated Property
η	0.0001098	Pa×s	722.43	Joback Calculated Property
η	0.0000677	Pa×s	798.66	Joback Calculated Property
η	0.0000454	Pa×s	874.90	Joback Calculated Property
η	0.0000325	Pa×s	951.14	Joback Calculated Property
η	0.0000244	Pa×s	1027.37	Joback Calculated Property
η	0.0000191	Pa×s	1103.61	Joback Calculated Property

Similar Compounds

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

Sources

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

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