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

InChI

InChI=1S/C22H37ClO4/c1-2-3-4-5-10-15-26-21(24)18-12-7-8-13-19(18)22(25)27-16-17-11-6-9-14-20(17)23/h17-20H,2-16H2,1H3

InChI Key

JDTGCOOJAVKGSY-UHFFFAOYSA-N

Formula

C22H37ClO4

SMILES

CCCCCCCOC(=O)C1CCCCC1C(=O)OCC1CCCCC1Cl

Molecular Weight¹

400.98

• 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	0.8391		Relay (1.0) Calculated Property
ΔfG°	-311.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-1072.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.32	kJ/mol	Joback Calculated Property
ΔvapH°	111.49	kJ/mol	Relay (1.0) Calculated Property
IE	9.59	eV	Relay (1.0) Calculated Property
log10WS	-5.87		Relay (1.0) Calculated Property
logPoct/wat	5.647		Crippen Calculated Property
McVol	326.240	ml/mol	McGowan Calculated Property
Pc	1164.04	kPa	Joback Calculated Property
Inp	[2808.00; 2808.00]
Inp	2808.00		NIST
Inp	2808.00		NIST
Tboil	680.35	K	Relay (1.0) Calculated Property
Tc	910.89	K	Relay (1.0) Calculated Property
Tfus	330.53	K	Relay (1.0) Calculated Property
Vc	1.182	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1124.07; 1206.88]	J/mol×K	[922.53; 1140.05]
Cp,gas	1124.07	J/mol×K	922.53	Joback Calculated Property
Cp,gas	1142.47	J/mol×K	958.78	Joback Calculated Property
Cp,gas	1158.99	J/mol×K	995.04	Joback Calculated Property
Cp,gas	1173.66	J/mol×K	1031.29	Joback Calculated Property
Cp,gas	1186.52	J/mol×K	1067.54	Joback Calculated Property
Cp,gas	1197.58	J/mol×K	1103.80	Joback Calculated Property
Cp,gas	1206.88	J/mol×K	1140.05	Joback Calculated Property
η	[0.0000621; 0.0008136]	Pa×s	[518.22; 922.53]
η	0.0008136	Pa×s	518.22	Joback Calculated Property
η	0.0004140	Pa×s	585.61	Joback Calculated Property
η	0.0002421	Pa×s	652.99	Joback Calculated Property
η	0.0001566	Pa×s	720.38	Joback Calculated Property
η	0.0001091	Pa×s	787.76	Joback Calculated Property
η	0.0000805	Pa×s	855.14	Joback Calculated Property
η	0.0000621	Pa×s	922.53	Joback Calculated Property

Similar Compounds

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

Sources

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

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