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

InChI

InChI=1S/C19H25ClO4/c1-12(2)11-23-18(21)15-6-4-5-7-16(15)19(22)24-14-8-9-17(20)13(3)10-14/h8-10,12,15-16H,4-7,11H2,1-3H3

InChI Key

DFPHCPYOPJAKAA-UHFFFAOYSA-N

Formula

C19H25ClO4

SMILES

Cc1cc(OC(=O)C2CCCCC2C(=O)OCC(C)C)ccc1Cl

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°	-263.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-698.54	kJ/mol	Joback Calculated Property
ΔfusH°	37.38	kJ/mol	Joback Calculated Property
ΔvapH°	83.92	kJ/mol	Joback Calculated Property
log10WS	-5.16		Crippen Calculated Property
logPoct/wat	4.559		Crippen Calculated Property
McVol	271.070	ml/mol	McGowan Calculated Property
Pc	1592.35	kPa	Joback Calculated Property
Inp	[2479.00; 2479.00]
Inp	2479.00		NIST
Inp	2479.00		NIST
Tboil	875.21	K	Joback Calculated Property
Tc	1103.07	K	Joback Calculated Property
Tfus	517.73	K	Joback Calculated Property
Vc	1.014	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[844.37; 915.99]	J/mol×K	[875.21; 1103.07]
Cp,gas	844.37	J/mol×K	875.21	Joback Calculated Property
Cp,gas	860.23	J/mol×K	913.19	Joback Calculated Property
Cp,gas	874.50	J/mol×K	951.16	Joback Calculated Property
Cp,gas	887.19	J/mol×K	989.14	Joback Calculated Property
Cp,gas	898.32	J/mol×K	1027.12	Joback Calculated Property
Cp,gas	907.92	J/mol×K	1065.10	Joback Calculated Property
Cp,gas	915.99	J/mol×K	1103.07	Joback Calculated Property
η	[0.0000683; 0.0006484]	Pa×s	[517.73; 875.21]
η	0.0006484	Pa×s	517.73	Joback Calculated Property
η	0.0003672	Pa×s	577.31	Joback Calculated Property
η	0.0002313	Pa×s	636.89	Joback Calculated Property
η	0.0001577	Pa×s	696.47	Joback Calculated Property
η	0.0001142	Pa×s	756.05	Joback Calculated Property
η	0.0000867	Pa×s	815.63	Joback Calculated Property
η	0.0000683	Pa×s	875.21	Joback Calculated Property

Similar Compounds

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

Sources

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

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