Chemical Properties of Succinic acid, 3-chlorophenyl (2-chlorocyclohexyl)methyl ester

InChI

InChI=1S/C17H20Cl2O4/c18-13-5-3-6-14(10-13)23-17(21)9-8-16(20)22-11-12-4-1-2-7-15(12)19/h3,5-6,10,12,15H,1-2,4,7-9,11H2

InChI Key

GMIRTKNNDZWBBM-UHFFFAOYSA-N

Formula

C17H20Cl2O4

SMILES

O=C(CCC(=O)Oc1cccc(Cl)c1)OCC1CCCCC1Cl

Molecular Weight¹

359.25

• 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).
• IE : Ionization energy (eV).
• 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°	43.48	kJ/mol	Joback Calculated Property
IE	8.81	eV	Relay (1.0) Calculated Property
logPoct/wat	4.366		Crippen Calculated Property
McVol	255.130	ml/mol	McGowan Calculated Property
Inp	[2742.00; 2742.00]
Inp	2742.00		NIST
Inp	2742.00		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, 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	[335.04; 799.30]	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			-1.52370e+01
Coefficient B			1.48000e+00
Coefficient C			-7.42360e-04
Coefficient D			7.69000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	335.04	J/mol×K	273.00	Calculated Property
Cp,gas	418.85	J/mol×K	353.78	Calculated Property
Cp,gas	494.03	J/mol×K	434.56	Calculated Property
Cp,gas	560.83	J/mol×K	515.33	Calculated Property
Cp,gas	619.50	J/mol×K	596.11	Calculated Property
Cp,gas	670.27	J/mol×K	676.89	Calculated Property
Cp,gas	713.40	J/mol×K	757.67	Calculated Property
Cp,gas	749.12	J/mol×K	838.44	Calculated Property
Cp,gas	777.67	J/mol×K	919.22	Calculated Property
Cp,gas	799.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009410; 0.0000978]	Pa×s	[467.93; 738.43]	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			-1.31490e+01
Coefficient B			2.89198e+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.			467.93
Temperature range, max.			738.43
η	0.0009410	Pa×s	467.93	Calculated Property
η	0.0006480	Pa×s	497.99	Calculated Property
η	0.0004656	Pa×s	528.04	Calculated Property
η	0.0003467	Pa×s	558.10	Calculated Property
η	0.0002660	Pa×s	588.15	Calculated Property
η	0.0002095	Pa×s	618.21	Calculated Property
η	0.0001686	Pa×s	648.26	Calculated Property
η	0.0001384	Pa×s	678.32	Calculated Property
η	0.0001155	Pa×s	708.38	Calculated Property
η	0.0000978	Pa×s	738.43	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-chlorophenyl (2-chlorocyclohexyl)methyl 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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