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

InChI

InChI=1S/C20H25Cl3O4/c1-2-3-4-7-10-26-19(24)14-8-5-6-9-15(14)20(25)27-18-16(22)11-13(21)12-17(18)23/h11-12,14-15H,2-10H2,1H3

InChI Key

MUVXKQDJIMUPLM-UHFFFAOYSA-N

Formula

C20H25Cl3O4

SMILES

CCCCCCOC(=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°	-285.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-756.85	kJ/mol	Joback Calculated Property
ΔfusH°	51.50	kJ/mol	Joback Calculated Property
ΔvapH°	95.96	kJ/mol	Joback Calculated Property
log10WS	-7.14		Crippen Calculated Property
logPoct/wat	6.482		Crippen Calculated Property
McVol	309.640	ml/mol	McGowan Calculated Property
Pc	1372.76	kPa	Joback Calculated Property
Inp	[2868.00; 2868.00]
Inp	2868.00		NIST
Inp	2868.00		NIST
Tboil	978.37	K	Joback Calculated Property
Tc	1211.12	K	Joback Calculated Property
Tfus	616.36	K	Joback Calculated Property
Vc	1.175	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[948.09; 997.06]	J/mol×K	[978.37; 1211.12]
Cp,gas	948.09	J/mol×K	978.37	Joback Calculated Property
Cp,gas	960.27	J/mol×K	1017.16	Joback Calculated Property
Cp,gas	970.82	J/mol×K	1055.95	Joback Calculated Property
Cp,gas	979.75	J/mol×K	1094.75	Joback Calculated Property
Cp,gas	987.09	J/mol×K	1133.54	Joback Calculated Property
Cp,gas	992.85	J/mol×K	1172.33	Joback Calculated Property
Cp,gas	997.06	J/mol×K	1211.12	Joback Calculated Property
η	[0.0000488; 0.0003333]	Pa×s	[616.36; 978.37]
η	0.0003333	Pa×s	616.36	Joback Calculated Property
η	0.0002098	Pa×s	676.70	Joback Calculated Property
η	0.0001424	Pa×s	737.03	Joback Calculated Property
η	0.0001025	Pa×s	797.37	Joback Calculated Property
η	0.0000773	Pa×s	857.70	Joback Calculated Property
η	0.0000605	Pa×s	918.04	Joback Calculated Property
η	0.0000488	Pa×s	978.37	Joback Calculated Property

Similar Compounds

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

Sources

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

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