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

InChI

InChI=1S/C21H27Cl3O4/c1-2-3-4-5-8-11-27-20(25)15-9-6-7-10-16(15)21(26)28-19-17(23)12-14(22)13-18(19)24/h12-13,15-16H,2-11H2,1H3

InChI Key

PYCLWTBLKRIINA-UHFFFAOYSA-N

Formula

C21H27Cl3O4

SMILES

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

Molecular Weight¹

449.80

• 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°	-277.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-777.49	kJ/mol	Joback Calculated Property
ΔfusH°	54.09	kJ/mol	Joback Calculated Property
ΔvapH°	98.19	kJ/mol	Joback Calculated Property
log10WS	-7.56		Crippen Calculated Property
logPoct/wat	6.872		Crippen Calculated Property
McVol	323.730	ml/mol	McGowan Calculated Property
Pc	1280.08	kPa	Joback Calculated Property
Inp	[2979.00; 2979.00]
Inp	2979.00		NIST
Inp	2979.00		NIST
Tboil	1001.25	K	Joback Calculated Property
Tc	1234.52	K	Joback Calculated Property
Tfus	627.63	K	Joback Calculated Property
Vc	1.230	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1007.09; 1054.70]	J/mol×K	[1001.25; 1234.52]
Cp,gas	1007.09	J/mol×K	1001.25	Joback Calculated Property
Cp,gas	1019.15	J/mol×K	1040.13	Joback Calculated Property
Cp,gas	1029.53	J/mol×K	1079.01	Joback Calculated Property
Cp,gas	1038.25	J/mol×K	1117.88	Joback Calculated Property
Cp,gas	1045.33	J/mol×K	1156.76	Joback Calculated Property
Cp,gas	1050.81	J/mol×K	1195.64	Joback Calculated Property
Cp,gas	1054.70	J/mol×K	1234.52	Joback Calculated Property
η	[0.0000421; 0.0002984]	Pa×s	[627.63; 1001.25]
η	0.0002984	Pa×s	627.63	Joback Calculated Property
η	0.0001858	Pa×s	689.90	Joback Calculated Property
η	0.0001251	Pa×s	752.17	Joback Calculated Property
η	0.0000895	Pa×s	814.44	Joback Calculated Property
η	0.0000672	Pa×s	876.71	Joback Calculated Property
η	0.0000524	Pa×s	938.98	Joback Calculated Property
η	0.0000421	Pa×s	1001.25	Joback Calculated Property

Similar Compounds

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

Sources

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

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