Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl isohexyl ester

InChI

InChI=1S/C21H29ClO4/c1-14(2)7-6-12-25-20(23)17-8-4-5-9-18(17)21(24)26-16-10-11-19(22)15(3)13-16/h10-11,13-14,17-18H,4-9,12H2,1-3H3

InChI Key

MWBBLORVHUOWHG-UHFFFAOYSA-N

Formula

C21H29ClO4

SMILES

Cc1cc(OC(=O)C2CCCCC2C(=O)OCCCC(C)C)ccc1Cl

Molecular Weight¹

380.91

• 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°	-246.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-739.82	kJ/mol	Joback Calculated Property
ΔfusH°	42.56	kJ/mol	Joback Calculated Property
ΔvapH°	88.37	kJ/mol	Joback Calculated Property
log10WS	-6.00		Crippen Calculated Property
logPoct/wat	5.340		Crippen Calculated Property
McVol	299.250	ml/mol	McGowan Calculated Property
Pc	1373.78	kPa	Joback Calculated Property
Inp	[2672.00; 2672.00]
Inp	2672.00		NIST
Inp	2672.00		NIST
Tboil	920.97	K	Joback Calculated Property
Tc	1146.11	K	Joback Calculated Property
Tfus	540.27	K	Joback Calculated Property
Vc	1.127	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[962.76; 1032.17]	J/mol×K	[920.97; 1146.11]
Cp,gas	962.76	J/mol×K	920.97	Joback Calculated Property
Cp,gas	978.37	J/mol×K	958.49	Joback Calculated Property
Cp,gas	992.33	J/mol×K	996.02	Joback Calculated Property
Cp,gas	1004.66	J/mol×K	1033.54	Joback Calculated Property
Cp,gas	1015.40	J/mol×K	1071.07	Joback Calculated Property
Cp,gas	1024.56	J/mol×K	1108.59	Joback Calculated Property
Cp,gas	1032.17	J/mol×K	1146.11	Joback Calculated Property
η	[0.0000517; 0.0005294]	Pa×s	[540.27; 920.97]
η	0.0005294	Pa×s	540.27	Joback Calculated Property
η	0.0002930	Pa×s	603.72	Joback Calculated Property
η	0.0001815	Pa×s	667.17	Joback Calculated Property
η	0.0001222	Pa×s	730.62	Joback Calculated Property
η	0.0000876	Pa×s	794.07	Joback Calculated Property
η	0.0000660	Pa×s	857.52	Joback Calculated Property
η	0.0000517	Pa×s	920.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl isohexyl ester.

Sources

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

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