Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, di(3-chlorophenyl) ester

InChI

InChI=1S/C20H18Cl2O4/c21-13-5-3-7-15(11-13)25-19(23)17-9-1-2-10-18(17)20(24)26-16-8-4-6-14(22)12-16/h3-8,11-12,17-18H,1-2,9-10H2

InChI Key

OQCLQCAWNUZKBD-UHFFFAOYSA-N

Formula

C20H18Cl2O4

SMILES

O=C(Oc1cccc(Cl)c1)C1CCCCC1C(=O)Oc1cccc(Cl)c1

Molecular Weight¹

393.26

• 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°	-151.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-493.11	kJ/mol	Joback Calculated Property
ΔfusH°	41.73	kJ/mol	Joback Calculated Property
ΔvapH°	93.19	kJ/mol	Joback Calculated Property
log10WS	-6.20		Crippen Calculated Property
logPoct/wat	5.311		Crippen Calculated Property
McVol	273.640	ml/mol	McGowan Calculated Property
Pc	1864.33	kPa	Joback Calculated Property
Inp	[3016.00; 3016.00]
Inp	3016.00		NIST
Inp	3016.00		NIST
Tboil	962.64	K	Joback Calculated Property
Tc	1219.03	K	Joback Calculated Property
Tfus	600.34	K	Joback Calculated Property
Vc	1.018	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[821.14; 863.99]	J/mol×K	[962.64; 1219.03]
Cp,gas	821.14	J/mol×K	962.64	Joback Calculated Property
Cp,gas	832.68	J/mol×K	1005.37	Joback Calculated Property
Cp,gas	842.40	J/mol×K	1048.10	Joback Calculated Property
Cp,gas	850.34	J/mol×K	1090.83	Joback Calculated Property
Cp,gas	856.56	J/mol×K	1133.56	Joback Calculated Property
Cp,gas	861.09	J/mol×K	1176.29	Joback Calculated Property
Cp,gas	863.99	J/mol×K	1219.03	Joback Calculated Property
η	[0.0000582; 0.0004102]	Pa×s	[600.34; 962.64]
η	0.0004102	Pa×s	600.34	Joback Calculated Property
η	0.0002553	Pa×s	660.72	Joback Calculated Property
η	0.0001721	Pa×s	721.11	Joback Calculated Property
η	0.0001233	Pa×s	781.49	Joback Calculated Property
η	0.0000926	Pa×s	841.87	Joback Calculated Property
η	0.0000723	Pa×s	902.26	Joback Calculated Property
η	0.0000582	Pa×s	962.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, di(3-chlorophenyl) ester.

Sources

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

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