Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, heptadecyl 2-methylcyclohexyl ester

InChI

InChI=1S/C32H58O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-35-31(33)28-23-18-19-24-29(28)32(34)36-30-25-20-17-22-27(30)2/h27-30H,3-26H2,1-2H3

InChI Key

IGDXQEFYAZCORF-UHFFFAOYSA-N

Formula

C32H58O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OC1CCCCC1C

Molecular Weight¹

506.80

• 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°	-215.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-1125.45	kJ/mol	Joback Calculated Property
ΔfusH°	70.02	kJ/mol	Joback Calculated Property
ΔvapH°	105.38	kJ/mol	Joback Calculated Property
log10WS	-10.12		Crippen Calculated Property
logPoct/wat	9.329		Crippen Calculated Property
McVol	454.900	ml/mol	McGowan Calculated Property
Pc	673.25	kPa	Joback Calculated Property
Inp	[3597.00; 3597.00]
Inp	3597.00		NIST
Inp	3597.00		NIST
Tboil	1113.90	K	Joback Calculated Property
Tc	1376.33	K	Joback Calculated Property
Tfus	601.00	K	Joback Calculated Property
Vc	1.740	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1731.39; 1797.27]	J/mol×K	[1113.90; 1376.33]
Cp,gas	1731.39	J/mol×K	1113.90	Joback Calculated Property
Cp,gas	1749.66	J/mol×K	1157.64	Joback Calculated Property
Cp,gas	1764.87	J/mol×K	1201.38	Joback Calculated Property
Cp,gas	1777.14	J/mol×K	1245.12	Joback Calculated Property
Cp,gas	1786.56	J/mol×K	1288.86	Joback Calculated Property
Cp,gas	1793.23	J/mol×K	1332.59	Joback Calculated Property
Cp,gas	1797.27	J/mol×K	1376.33	Joback Calculated Property
η	[0.0000163; 0.0003026]	Pa×s	[601.00; 1113.90]
η	0.0003026	Pa×s	601.00	Joback Calculated Property
η	0.0001373	Pa×s	686.48	Joback Calculated Property
η	0.0000742	Pa×s	771.97	Joback Calculated Property
η	0.0000454	Pa×s	857.45	Joback Calculated Property
η	0.0000303	Pa×s	942.93	Joback Calculated Property
η	0.0000217	Pa×s	1028.42	Joback Calculated Property
η	0.0000163	Pa×s	1113.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, heptadecyl 2-methylcyclohexyl ester.

Sources

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

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