Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2-chlorophenyl isohexyl ester

InChI

InChI=1S/C20H27ClO4/c1-14(2)8-7-13-24-19(22)15-9-3-4-10-16(15)20(23)25-18-12-6-5-11-17(18)21/h5-6,11-12,14-16H,3-4,7-10,13H2,1-2H3

InChI Key

SIQKPUBVZJPFQD-UHFFFAOYSA-N

Formula

C20H27ClO4

SMILES

CC(C)CCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1Cl

Molecular Weight¹

366.88

• 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°	-245.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-707.71	kJ/mol	Joback Calculated Property
ΔfusH°	40.36	kJ/mol	Joback Calculated Property
ΔvapH°	85.48	kJ/mol	Joback Calculated Property
log10WS	-5.53		Crippen Calculated Property
logPoct/wat	5.031		Crippen Calculated Property
McVol	285.160	ml/mol	McGowan Calculated Property
Pc	1494.19	kPa	Joback Calculated Property
Inp	[2547.00; 2547.00]
Inp	2547.00		NIST
Inp	2547.00		NIST
Tboil	893.11	K	Joback Calculated Property
Tc	1118.48	K	Joback Calculated Property
Tfus	516.48	K	Joback Calculated Property
Vc	1.071	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[904.16; 975.98]	J/mol×K	[893.11; 1118.48]
Cp,gas	904.16	J/mol×K	893.11	Joback Calculated Property
Cp,gas	920.04	J/mol×K	930.67	Joback Calculated Property
Cp,gas	934.32	J/mol×K	968.23	Joback Calculated Property
Cp,gas	947.02	J/mol×K	1005.80	Joback Calculated Property
Cp,gas	958.18	J/mol×K	1043.36	Joback Calculated Property
Cp,gas	967.82	J/mol×K	1080.92	Joback Calculated Property
Cp,gas	975.98	J/mol×K	1118.48	Joback Calculated Property
η	[0.0000584; 0.0006755]	Pa×s	[516.48; 893.11]
η	0.0006755	Pa×s	516.48	Joback Calculated Property
η	0.0003601	Pa×s	579.25	Joback Calculated Property
η	0.0002171	Pa×s	642.02	Joback Calculated Property
η	0.0001432	Pa×s	704.79	Joback Calculated Property
η	0.0001011	Pa×s	767.57	Joback Calculated Property
η	0.0000753	Pa×s	830.34	Joback Calculated Property
η	0.0000584	Pa×s	893.11	Joback Calculated Property

Similar Compounds

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

Sources

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

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