Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl isohexyl ester

InChI

InChI=1S/C20H26Cl2O4/c1-13(2)6-5-11-25-19(23)15-7-3-4-8-16(15)20(24)26-18-12-14(21)9-10-17(18)22/h9-10,12-13,15-16H,3-8,11H2,1-2H3

InChI Key

NQLXACVERYFQEE-UHFFFAOYSA-N

Formula

C20H26Cl2O4

SMILES

CC(C)CCCOC(=O)C1CCCCC1C(=O)Oc1cc(Cl)ccc1Cl

Molecular Weight¹

401.32

• 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°	-266.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-734.92	kJ/mol	Joback Calculated Property
ΔfusH°	44.17	kJ/mol	Joback Calculated Property
ΔvapH°	90.53	kJ/mol	Joback Calculated Property
log10WS	-6.21		Crippen Calculated Property
logPoct/wat	5.685		Crippen Calculated Property
McVol	297.400	ml/mol	McGowan Calculated Property
Pc	1435.89	kPa	Joback Calculated Property
Inp	[2680.00; 2680.00]
Inp	2680.00		NIST
Inp	2680.00		NIST
Tboil	935.52	K	Joback Calculated Property
Tc	1165.44	K	Joback Calculated Property
Tfus	558.92	K	Joback Calculated Property
Vc	1.119	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[927.66; 988.07]	J/mol×K	[935.52; 1165.44]
Cp,gas	927.66	J/mol×K	935.52	Joback Calculated Property
Cp,gas	941.73	J/mol×K	973.84	Joback Calculated Property
Cp,gas	954.16	J/mol×K	1012.16	Joback Calculated Property
Cp,gas	964.99	J/mol×K	1050.48	Joback Calculated Property
Cp,gas	974.23	J/mol×K	1088.80	Joback Calculated Property
Cp,gas	981.92	J/mol×K	1127.12	Joback Calculated Property
Cp,gas	988.07	J/mol×K	1165.44	Joback Calculated Property
η	[0.0000511; 0.0004826]	Pa×s	[558.92; 935.52]
η	0.0004826	Pa×s	558.92	Joback Calculated Property
η	0.0002748	Pa×s	621.69	Joback Calculated Property
η	0.0001735	Pa×s	684.45	Joback Calculated Property
η	0.0001183	Pa×s	747.22	Joback Calculated Property
η	0.0000856	Pa×s	809.99	Joback Calculated Property
η	0.0000649	Pa×s	872.75	Joback Calculated Property
η	0.0000511	Pa×s	935.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl isohexyl ester.

Sources

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

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