Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, (2-chlorocyclohexyl)methyl isohexyl ester

InChI

InChI=1S/C21H35ClO4/c1-15(2)8-7-13-25-20(23)17-10-4-5-11-18(17)21(24)26-14-16-9-3-6-12-19(16)22/h15-19H,3-14H2,1-2H3

InChI Key

BCRIHSBUEDJNGV-UHFFFAOYSA-N

Formula

C21H35ClO4

SMILES

CC(C)CCCOC(=O)C1CCCCC1C(=O)OCC1CCCCC1Cl

Molecular Weight¹

386.95

• 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	0.7674		Relay (1.0) Calculated Property
ΔfG°	-322.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-1075.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.21	kJ/mol	Joback Calculated Property
ΔvapH°	105.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.56	eV	Relay (1.0) Calculated Property
log10WS	-5.52		Relay (1.0) Calculated Property
logPoct/wat	5.113		Crippen Calculated Property
McVol	312.150	ml/mol	McGowan Calculated Property
Pc	1251.26	kPa	Joback Calculated Property
Inp	[2658.00; 2658.00]
Inp	2658.00		NIST
Inp	2658.00		NIST
Tboil	673.87	K	Relay (1.0) Calculated Property
Tc	901.38	K	Relay (1.0) Calculated Property
Tfus	337.94	K	Relay (1.0) Calculated Property
Vc	1.122	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1062.74; 1147.86]	J/mol×K	[899.21; 1118.49]
Cp,gas	1062.74	J/mol×K	899.21	Joback Calculated Property
Cp,gas	1081.54	J/mol×K	935.76	Joback Calculated Property
Cp,gas	1098.47	J/mol×K	972.30	Joback Calculated Property
Cp,gas	1113.53	J/mol×K	1008.85	Joback Calculated Property
Cp,gas	1126.77	J/mol×K	1045.40	Joback Calculated Property
Cp,gas	1138.21	J/mol×K	1081.95	Joback Calculated Property
Cp,gas	1147.86	J/mol×K	1118.49	Joback Calculated Property
η	[0.0000654; 0.0010224]	Pa×s	[491.95; 899.21]
η	0.0010224	Pa×s	491.95	Joback Calculated Property
η	0.0004897	Pa×s	559.83	Joback Calculated Property
η	0.0002750	Pa×s	627.70	Joback Calculated Property
η	0.0001729	Pa×s	695.58	Joback Calculated Property
η	0.0001180	Pa×s	763.46	Joback Calculated Property
η	0.0000858	Pa×s	831.33	Joback Calculated Property
η	0.0000654	Pa×s	899.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, (2-chlorocyclohexyl)methyl isohexyl ester.

Sources

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

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