Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl undecyl ester

InChI

InChI=1S/C27H48O4/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/h23-25H,2-22H2,1H3

InChI Key

GNSJGDZFWNZPSG-UHFFFAOYSA-N

Formula

C27H48O4

SMILES

CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCC1CCCCC1

Molecular Weight¹

436.67

• 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	1.0232		Relay (1.0) Calculated Property
ΔfG°	-250.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-1134.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.00	kJ/mol	Joback Calculated Property
ΔvapH°	123.75	kJ/mol	Relay (1.0) Calculated Property
IE	9.66	eV	Relay (1.0) Calculated Property
log10WS	-7.27		Relay (1.0) Calculated Property
logPoct/wat	7.380		Crippen Calculated Property
McVol	384.450	ml/mol	McGowan Calculated Property
Pc	895.87	kPa	Joback Calculated Property
Inp	[3129.00; 3129.00]
Inp	3129.00		NIST
Inp	3129.00		NIST
Tboil	697.90	K	Relay (1.0) Calculated Property
Tc	919.17	K	Relay (1.0) Calculated Property
Tfus	314.47	K	Relay (1.0) Calculated Property
Vc	1.416	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1406.37; 1489.48]	J/mol×K	[1004.17; 1229.43]
Cp,gas	1406.37	J/mol×K	1004.17	Joback Calculated Property
Cp,gas	1425.33	J/mol×K	1041.71	Joback Calculated Property
Cp,gas	1442.17	J/mol×K	1079.26	Joback Calculated Property
Cp,gas	1456.95	J/mol×K	1116.80	Joback Calculated Property
Cp,gas	1469.72	J/mol×K	1154.34	Joback Calculated Property
Cp,gas	1480.55	J/mol×K	1191.89	Joback Calculated Property
Cp,gas	1489.48	J/mol×K	1229.43	Joback Calculated Property
η	[0.0000260; 0.0005055]	Pa×s	[548.89; 1004.17]
η	0.0005055	Pa×s	548.89	Joback Calculated Property
η	0.0002284	Pa×s	624.77	Joback Calculated Property
η	0.0001226	Pa×s	700.65	Joback Calculated Property
η	0.0000743	Pa×s	776.53	Joback Calculated Property
η	0.0000492	Pa×s	852.41	Joback Calculated Property
η	0.0000349	Pa×s	928.29	Joback Calculated Property
η	0.0000260	Pa×s	1004.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl undecyl ester.

Sources

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

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