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

InChI

InChI=1S/C19H23Cl3O4/c1-2-3-6-9-25-18(23)13-7-4-5-8-14(13)19(24)26-17-15(21)10-12(20)11-16(17)22/h10-11,13-14H,2-9H2,1H3

InChI Key

PCSYOVGAUYFPPK-UHFFFAOYSA-N

Formula

C19H23Cl3O4

SMILES

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

Molecular Weight¹

421.74

• 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°	-294.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-736.21	kJ/mol	Joback Calculated Property
ΔfusH°	48.91	kJ/mol	Joback Calculated Property
ΔvapH°	93.74	kJ/mol	Joback Calculated Property
log10WS	-6.72		Crippen Calculated Property
logPoct/wat	6.092		Crippen Calculated Property
McVol	295.550	ml/mol	McGowan Calculated Property
Pc	1475.88	kPa	Joback Calculated Property
Inp	[2774.00; 2774.00]
Inp	2774.00		NIST
Inp	2774.00		NIST
Tboil	955.49	K	Joback Calculated Property
Tc	1188.60	K	Joback Calculated Property
Tfus	605.09	K	Joback Calculated Property
Vc	1.119	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[889.55; 939.66]	J/mol×K	[955.49; 1188.60]
Cp,gas	889.55	J/mol×K	955.49	Joback Calculated Property
Cp,gas	901.84	J/mol×K	994.34	Joback Calculated Property
Cp,gas	912.53	J/mol×K	1033.19	Joback Calculated Property
Cp,gas	921.64	J/mol×K	1072.04	Joback Calculated Property
Cp,gas	929.19	J/mol×K	1110.90	Joback Calculated Property
Cp,gas	935.19	J/mol×K	1149.75	Joback Calculated Property
Cp,gas	939.66	J/mol×K	1188.60	Joback Calculated Property
η	[0.0000565; 0.0003711]	Pa×s	[605.09; 955.49]
η	0.0003711	Pa×s	605.09	Joback Calculated Property
η	0.0002362	Pa×s	663.49	Joback Calculated Property
η	0.0001617	Pa×s	721.89	Joback Calculated Property
η	0.0001172	Pa×s	780.29	Joback Calculated Property
η	0.0000888	Pa×s	838.69	Joback Calculated Property
η	0.0000698	Pa×s	897.09	Joback Calculated Property
η	0.0000565	Pa×s	955.49	Joback Calculated Property

Similar Compounds

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

Sources

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

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