Chemical Properties of Succinic acid, cyclohexylmethyl 2,4,5-trichlorophenyl ester

InChI

InChI=1S/C17H19Cl3O4/c18-12-8-14(20)15(9-13(12)19)24-17(22)7-6-16(21)23-10-11-4-2-1-3-5-11/h8-9,11H,1-7,10H2

InChI Key

HWJKJQRSLZOYAX-UHFFFAOYSA-N

Formula

C17H19Cl3O4

SMILES

O=C(CCC(=O)Oc1cc(Cl)c(Cl)cc1Cl)OCC1CCCCC1

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°	45.82	kJ/mol	Joback Calculated Property
logPoct/wat	5.456		Crippen Calculated Property
McVol	267.370	ml/mol	McGowan Calculated Property
Inp	[2714.00; 2714.00]
Inp	2714.00		NIST
Inp	2714.00		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	[351.28; 794.83]	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			2.03130e+01
Coefficient B			1.39430e+00
Coefficient C			-6.84080e-04
Coefficient D			6.43000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	351.28	J/mol×K	273.00	Calculated Property
Cp,gas	430.81	J/mol×K	353.78	Calculated Property
Cp,gas	502.31	J/mol×K	434.56	Calculated Property
Cp,gas	565.97	J/mol×K	515.33	Calculated Property
Cp,gas	622.00	J/mol×K	596.11	Calculated Property
Cp,gas	670.61	J/mol×K	676.89	Calculated Property
Cp,gas	711.99	J/mol×K	757.67	Calculated Property
Cp,gas	746.35	J/mol×K	838.44	Calculated Property
Cp,gas	773.90	J/mol×K	919.22	Calculated Property
Cp,gas	794.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004976; 0.0000699]	Pa×s	[527.13; 777.92]	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			-1.36924e+01
Coefficient B			3.20847e+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.			527.13
Temperature range, max.			777.92
η	0.0004976	Pa×s	527.13	Calculated Property
η	0.0003666	Pa×s	555.00	Calculated Property
η	0.0002780	Pa×s	582.86	Calculated Property
η	0.0002163	Pa×s	610.73	Calculated Property
η	0.0001720	Pa×s	638.59	Calculated Property
η	0.0001394	Pa×s	666.46	Calculated Property
η	0.0001149	Pa×s	694.33	Calculated Property
η	0.0000961	Pa×s	722.19	Calculated Property
η	0.0000815	Pa×s	750.06	Calculated Property
η	0.0000699	Pa×s	777.92	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 2,4,5-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

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