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

InChI

InChI=1S/C21H36O4/c1-3-4-5-10-15-24-20(22)17-12-7-8-13-18(17)21(23)25-19-14-9-6-11-16(19)2/h16-19H,3-15H2,1-2H3

InChI Key

PHLSWPQPIQIRCK-UHFFFAOYSA-N

Formula

C21H36O4

SMILES

CCCCCCOC(=O)C1CCCCC1C(=O)OC1CCCCC1C

Molecular Weight¹

352.51

• 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°	-308.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-898.41	kJ/mol	Joback Calculated Property
ΔfusH°	41.53	kJ/mol	Joback Calculated Property
ΔvapH°	80.89	kJ/mol	Joback Calculated Property
log10WS	-5.51		Crippen Calculated Property
logPoct/wat	5.038		Crippen Calculated Property
McVol	299.910	ml/mol	McGowan Calculated Property
Pc	1277.33	kPa	Joback Calculated Property
Inp	[2427.00; 2427.00]
Inp	2427.00		NIST
Inp	2427.00		NIST
Tboil	862.22	K	Joback Calculated Property
Tc	1075.00	K	Joback Calculated Property
Tfus	477.03	K	Joback Calculated Property
Vc	1.123	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1031.72; 1128.02]	J/mol×K	[862.22; 1075.00]
Cp,gas	1031.72	J/mol×K	862.22	Joback Calculated Property
Cp,gas	1052.18	J/mol×K	897.68	Joback Calculated Property
Cp,gas	1070.85	J/mol×K	933.15	Joback Calculated Property
Cp,gas	1087.75	J/mol×K	968.61	Joback Calculated Property
Cp,gas	1102.90	J/mol×K	1004.07	Joback Calculated Property
Cp,gas	1116.31	J/mol×K	1039.53	Joback Calculated Property
Cp,gas	1128.02	J/mol×K	1075.00	Joback Calculated Property
η	[0.0000827; 0.0011145]	Pa×s	[477.03; 862.22]
η	0.0011145	Pa×s	477.03	Joback Calculated Property
η	0.0005586	Pa×s	541.23	Joback Calculated Property
η	0.0003242	Pa×s	605.43	Joback Calculated Property
η	0.0002088	Pa×s	669.62	Joback Calculated Property
η	0.0001453	Pa×s	733.82	Joback Calculated Property
η	0.0001071	Pa×s	798.02	Joback Calculated Property
η	0.0000827	Pa×s	862.22	Joback Calculated Property

Similar Compounds

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

Sources

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

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