Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylcyclohexyl undecyl ester

InChI

InChI=1S/C27H48O4/c1-4-5-6-7-8-9-10-11-14-17-30-26(28)24-15-12-13-16-25(24)27(29)31-23-19-21(2)18-22(3)20-23/h21-25H,4-20H2,1-3H3

InChI Key

PFDGELPEOWUZLU-UHFFFAOYSA-N

Formula

C27H48O4

SMILES

CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OC1CC(C)CC(C)C1

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°	-265.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-1042.59	kJ/mol	Joback Calculated Property
ΔfusH°	58.14	kJ/mol	Joback Calculated Property
ΔvapH°	93.94	kJ/mol	Joback Calculated Property
log10WS	-7.78		Crippen Calculated Property
logPoct/wat	7.235		Crippen Calculated Property
McVol	384.450	ml/mol	McGowan Calculated Property
Pc	861.50	kPa	Joback Calculated Property
Inp	[2971.00; 2971.00]
Inp	2971.00		NIST
Inp	2971.00		NIST
Tboil	994.83	K	Joback Calculated Property
Tc	1218.12	K	Joback Calculated Property
Tfus	540.41	K	Joback Calculated Property
Vc	1.458	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1414.64; 1496.82]	J/mol×K	[994.83; 1218.12]
Cp,gas	1414.64	J/mol×K	994.83	Joback Calculated Property
Cp,gas	1433.89	J/mol×K	1032.04	Joback Calculated Property
Cp,gas	1450.87	J/mol×K	1069.26	Joback Calculated Property
Cp,gas	1465.61	J/mol×K	1106.47	Joback Calculated Property
Cp,gas	1478.16	J/mol×K	1143.69	Joback Calculated Property
Cp,gas	1488.55	J/mol×K	1180.90	Joback Calculated Property
Cp,gas	1496.82	J/mol×K	1218.12	Joback Calculated Property
η	[0.0000472; 0.0006451]	Pa×s	[540.41; 994.83]
η	0.0006451	Pa×s	540.41	Joback Calculated Property
η	0.0003191	Pa×s	616.15	Joback Calculated Property
η	0.0001841	Pa×s	691.88	Joback Calculated Property
η	0.0001184	Pa×s	767.62	Joback Calculated Property
η	0.0000825	Pa×s	843.36	Joback Calculated Property
η	0.0000609	Pa×s	919.09	Joback Calculated Property
η	0.0000472	Pa×s	994.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylcyclohexyl undecyl ester.

Sources

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

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