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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	46.89	kJ/mol	Joback Calculated Property
logPoct/wat	5.312		Crippen Calculated Property
McVol	267.370	ml/mol	McGowan Calculated Property
Inp	[2589.00; 2589.00]
Inp	2589.00		NIST
Inp	2589.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[353.55; 801.49]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.62520e+01
Coefficient B			1.36782e+00
Coefficient C			-6.28680e-04
Coefficient D			3.61000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	353.55	J/mol×K	273.00	Calculated Property
Cp,gas	433.07	J/mol×K	353.78	Calculated Property
Cp,gas	504.89	J/mol×K	434.56	Calculated Property
Cp,gas	569.12	J/mol×K	515.33	Calculated Property
Cp,gas	625.87	J/mol×K	596.11	Calculated Property
Cp,gas	675.26	J/mol×K	676.89	Calculated Property
Cp,gas	717.41	J/mol×K	757.67	Calculated Property
Cp,gas	752.42	J/mol×K	838.44	Calculated Property
Cp,gas	780.41	J/mol×K	919.22	Calculated Property
Cp,gas	801.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005525; 0.0000877]	Pa×s	[522.89; 774.62]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.31634e+01
Coefficient B			2.96078e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			522.89
Temperature range, max.			774.62
η	0.0005525	Pa×s	522.89	Calculated Property
η	0.0004144	Pa×s	550.86	Calculated Property
η	0.0003196	Pa×s	578.83	Calculated Property
η	0.0002525	Pa×s	606.80	Calculated Property
η	0.0002037	Pa×s	634.77	Calculated Property
η	0.0001673	Pa×s	662.74	Calculated Property
η	0.0001396	Pa×s	690.71	Calculated Property
η	0.0001181	Pa×s	718.68	Calculated Property
η	0.0001012	Pa×s	746.65	Calculated Property
η	0.0000877	Pa×s	774.62	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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