Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, propyl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C17H19Cl3O4/c1-2-7-23-16(21)11-5-3-4-6-12(11)17(22)24-15-13(19)8-10(18)9-14(15)20/h8-9,11-12H,2-7H2,1H3

InChI Key

GLZUTZREYQLZHV-UHFFFAOYSA-N

Formula

C17H19Cl3O4

SMILES

CCCOC(=O)C1CCCCC1C(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

393.69

• 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°	-311.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-694.93	kJ/mol	Joback Calculated Property
ΔfusH°	43.73	kJ/mol	Joback Calculated Property
ΔvapH°	89.28	kJ/mol	Joback Calculated Property
log10WS	-5.88		Crippen Calculated Property
logPoct/wat	5.312		Crippen Calculated Property
McVol	267.370	ml/mol	McGowan Calculated Property
Pc	1720.31	kPa	Joback Calculated Property
Inp	[2589.00; 2589.00]
Inp	2589.00		NIST
Inp	2589.00		NIST
Tboil	909.73	K	Joback Calculated Property
Tc	1145.97	K	Joback Calculated Property
Tfus	582.55	K	Joback Calculated Property
Vc	1.006	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[774.10; 825.83]	J/mol×K	[909.73; 1145.97]
Cp,gas	774.10	J/mol×K	909.73	Joback Calculated Property
Cp,gas	786.52	J/mol×K	949.10	Joback Calculated Property
Cp,gas	797.41	J/mol×K	988.48	Joback Calculated Property
Cp,gas	806.78	J/mol×K	1027.85	Joback Calculated Property
Cp,gas	814.63	J/mol×K	1067.22	Joback Calculated Property
Cp,gas	820.98	J/mol×K	1106.59	Joback Calculated Property
Cp,gas	825.83	J/mol×K	1145.97	Joback Calculated Property
η	[0.0000752; 0.0004553]	Pa×s	[582.55; 909.73]
η	0.0004553	Pa×s	582.55	Joback Calculated Property
η	0.0002965	Pa×s	637.08	Joback Calculated Property
η	0.0002067	Pa×s	691.61	Joback Calculated Property
η	0.0001518	Pa×s	746.14	Joback Calculated Property
η	0.0001163	Pa×s	800.67	Joback Calculated Property
η	0.0000922	Pa×s	855.20	Joback Calculated Property
η	0.0000752	Pa×s	909.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, propyl 2,4,6-trichlorophenyl ester.

Sources

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

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