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

InChI

InChI=1S/C22H29Cl3O4/c1-2-3-4-5-6-9-12-28-21(26)16-10-7-8-11-17(16)22(27)29-20-18(24)13-15(23)14-19(20)25/h13-14,16-17H,2-12H2,1H3

InChI Key

ODBKFGMQBCKILK-UHFFFAOYSA-N

Formula

C22H29Cl3O4

SMILES

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

Molecular Weight¹

463.82

• 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°	-269.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-798.13	kJ/mol	Joback Calculated Property
ΔfusH°	56.68	kJ/mol	Joback Calculated Property
ΔvapH°	100.41	kJ/mol	Joback Calculated Property
log10WS	-7.97		Crippen Calculated Property
logPoct/wat	7.262		Crippen Calculated Property
McVol	337.820	ml/mol	McGowan Calculated Property
Pc	1196.48	kPa	Joback Calculated Property
Inp	[3087.00; 3087.00]
Inp	3087.00		NIST
Inp	3087.00		NIST
Tboil	1024.13	K	Joback Calculated Property
Tc	1258.83	K	Joback Calculated Property
Tfus	638.90	K	Joback Calculated Property
Vc	1.286	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1066.50; 1112.55]	J/mol×K	[1024.13; 1258.83]
Cp,gas	1066.50	J/mol×K	1024.13	Joback Calculated Property
Cp,gas	1078.43	J/mol×K	1063.25	Joback Calculated Property
Cp,gas	1088.62	J/mol×K	1102.36	Joback Calculated Property
Cp,gas	1097.09	J/mol×K	1141.48	Joback Calculated Property
Cp,gas	1103.89	J/mol×K	1180.60	Joback Calculated Property
Cp,gas	1109.03	J/mol×K	1219.71	Joback Calculated Property
Cp,gas	1112.55	J/mol×K	1258.83	Joback Calculated Property
η	[0.0000362; 0.0002664]	Pa×s	[638.90; 1024.13]
η	0.0002664	Pa×s	638.90	Joback Calculated Property
η	0.0001641	Pa×s	703.11	Joback Calculated Property
η	0.0001097	Pa×s	767.31	Joback Calculated Property
η	0.0000780	Pa×s	831.52	Joback Calculated Property
η	0.0000582	Pa×s	895.72	Joback Calculated Property
η	0.0000452	Pa×s	959.93	Joback Calculated Property
η	0.0000362	Pa×s	1024.13	Joback Calculated Property

Similar Compounds

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

Sources

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

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