Chemical Properties of Succinic acid, 3-chlorophenyl 4-chlorobenzyl ester

InChI

InChI=1S/C17H14Cl2O4/c18-13-6-4-12(5-7-13)11-22-16(20)8-9-17(21)23-15-3-1-2-14(19)10-15/h1-7,10H,8-9,11H2

InChI Key

WLSVVFSVBLCPEQ-UHFFFAOYSA-N

Formula

C17H14Cl2O4

SMILES

O=C(CCC(=O)Oc1cccc(Cl)c1)OCc1ccc(Cl)cc1

Molecular Weight¹

353.20

• 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°	44.22	kJ/mol	Joback Calculated Property
IE	8.53	eV	Relay (1.0) Calculated Property
logPoct/wat	4.422		Crippen Calculated Property
McVol	242.230	ml/mol	McGowan Calculated Property
Inp	[2707.00; 2707.00]
Inp	2707.00		NIST
Inp	2707.00		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	[316.19; 686.00]	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			2.48230e+01
Coefficient B			1.24600e+00
Coefficient C			-6.80920e-04
Coefficient D			9.61000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	316.19	J/mol×K	273.00	Calculated Property
Cp,gas	384.66	J/mol×K	353.78	Calculated Property
Cp,gas	445.58	J/mol×K	434.56	Calculated Property
Cp,gas	499.25	J/mol×K	515.33	Calculated Property
Cp,gas	545.97	J/mol×K	596.11	Calculated Property
Cp,gas	586.05	J/mol×K	676.89	Calculated Property
Cp,gas	619.79	J/mol×K	757.67	Calculated Property
Cp,gas	647.49	J/mol×K	838.44	Calculated Property
Cp,gas	669.46	J/mol×K	919.22	Calculated Property
Cp,gas	686.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005480; 0.0000758]	Pa×s	[503.73; 754.49]	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			-1.34600e+01
Coefficient B			2.99756e+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.			503.73
Temperature range, max.			754.49
η	0.0005480	Pa×s	503.73	Calculated Property
η	0.0004012	Pa×s	531.59	Calculated Property
η	0.0003029	Pa×s	559.45	Calculated Property
η	0.0002349	Pa×s	587.32	Calculated Property
η	0.0001865	Pa×s	615.18	Calculated Property
η	0.0001510	Pa×s	643.04	Calculated Property
η	0.0001244	Pa×s	670.90	Calculated Property
η	0.0001041	Pa×s	698.77	Calculated Property
η	0.0000883	Pa×s	726.63	Calculated Property
η	0.0000758	Pa×s	754.49	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-chlorophenyl 4-chlorobenzyl 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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