Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, butyl 4-chloro-3-methylphenyl ester

InChI

InChI=1S/C19H25ClO4/c1-3-4-11-23-18(21)15-7-5-6-8-16(15)19(22)24-14-9-10-17(20)13(2)12-14/h9-10,12,15-16H,3-8,11H2,1-2H3

InChI Key

MEHGQLIZAHNMKH-UHFFFAOYSA-N

Formula

C19H25ClO4

SMILES

CCCCOC(=O)C1CCCCC1C(=O)Oc1ccc(Cl)c(C)c1

Molecular Weight¹

352.85

• 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°	-260.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-693.26	kJ/mol	Joback Calculated Property
ΔfusH°	40.91	kJ/mol	Joback Calculated Property
ΔvapH°	84.30	kJ/mol	Joback Calculated Property
log10WS	-5.41		Crippen Calculated Property
logPoct/wat	4.704		Crippen Calculated Property
McVol	271.070	ml/mol	McGowan Calculated Property
Pc	1582.23	kPa	Joback Calculated Property
Inp	[2521.00; 2521.00]
Inp	2521.00		NIST
Inp	2521.00		NIST
Tboil	875.65	K	Joback Calculated Property
Tc	1100.61	K	Joback Calculated Property
Tfus	532.73	K	Joback Calculated Property
Vc	1.020	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[843.86; 915.22]	J/mol×K	[875.65; 1100.61]
Cp,gas	843.86	J/mol×K	875.65	Joback Calculated Property
Cp,gas	859.54	J/mol×K	913.14	Joback Calculated Property
Cp,gas	873.69	J/mol×K	950.64	Joback Calculated Property
Cp,gas	886.31	J/mol×K	988.13	Joback Calculated Property
Cp,gas	897.43	J/mol×K	1025.62	Joback Calculated Property
Cp,gas	907.06	J/mol×K	1063.11	Joback Calculated Property
Cp,gas	915.22	J/mol×K	1100.61	Joback Calculated Property
η	[0.0000747; 0.0005913]	Pa×s	[532.73; 875.65]
η	0.0005913	Pa×s	532.73	Joback Calculated Property
η	0.0003544	Pa×s	589.88	Joback Calculated Property
η	0.0002325	Pa×s	647.04	Joback Calculated Property
η	0.0001633	Pa×s	704.19	Joback Calculated Property
η	0.0001210	Pa×s	761.34	Joback Calculated Property
η	0.0000935	Pa×s	818.50	Joback Calculated Property
η	0.0000747	Pa×s	875.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, butyl 4-chloro-3-methylphenyl ester.

Sources

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

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