Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, isohexyl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C20H25Cl3O4/c1-12(2)6-5-9-26-19(24)14-7-3-4-8-15(14)20(25)27-18-16(22)10-13(21)11-17(18)23/h10-12,14-15H,3-9H2,1-2H3

InChI Key

JODHDCLIOXBAQB-UHFFFAOYSA-N

Formula

C20H25Cl3O4

SMILES

CC(C)CCCOC(=O)C1CCCCC1C(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

435.77

• 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°	-288.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-762.13	kJ/mol	Joback Calculated Property
ΔfusH°	47.98	kJ/mol	Joback Calculated Property
ΔvapH°	95.58	kJ/mol	Joback Calculated Property
log10WS	-6.90		Crippen Calculated Property
logPoct/wat	6.338		Crippen Calculated Property
McVol	309.640	ml/mol	McGowan Calculated Property
Pc	1380.93	kPa	Joback Calculated Property
Inp	[2821.00; 2821.00]
Inp	2821.00		NIST
Inp	2821.00		NIST
Tboil	977.93	K	Joback Calculated Property
Tc	1212.74	K	Joback Calculated Property
Tfus	601.36	K	Joback Calculated Property
Vc	1.169	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[948.52; 997.10]	J/mol×K	[977.93; 1212.74]
Cp,gas	948.52	J/mol×K	977.93	Joback Calculated Property
Cp,gas	960.75	J/mol×K	1017.06	Joback Calculated Property
Cp,gas	971.29	J/mol×K	1056.20	Joback Calculated Property
Cp,gas	980.18	J/mol×K	1095.33	Joback Calculated Property
Cp,gas	987.43	J/mol×K	1134.47	Joback Calculated Property
Cp,gas	993.06	J/mol×K	1173.60	Joback Calculated Property
Cp,gas	997.10	J/mol×K	1212.74	Joback Calculated Property
η	[0.0000444; 0.0003533]	Pa×s	[601.36; 977.93]
η	0.0003533	Pa×s	601.36	Joback Calculated Property
η	0.0002124	Pa×s	664.12	Joback Calculated Property
η	0.0001394	Pa×s	726.88	Joback Calculated Property
η	0.0000979	Pa×s	789.64	Joback Calculated Property
η	0.0000724	Pa×s	852.41	Joback Calculated Property
η	0.0000558	Pa×s	915.17	Joback Calculated Property
η	0.0000444	Pa×s	977.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, isohexyl 2,4,6-trichlorophenyl ester.

Sources

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

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