Chemical Properties of Succinic acid, phenyl 2-chloroethyl ester

InChI

InChI=1S/C12H13ClO4/c13-8-9-16-11(14)6-7-12(15)17-10-4-2-1-3-5-10/h1-5H,6-9H2

InChI Key

WETSIKFDVBOWKR-UHFFFAOYSA-N

Formula

C12H13ClO4

SMILES

O=C(CCC(=O)Oc1ccccc1)OCCCl

Molecular Weight¹

256.69

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[248.87; 544.38]	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			2.17840e+01
Coefficient B			9.62100e-01
Coefficient C			-4.91400e-04
Coefficient D			5.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	248.87	J/mol×K	273.00	Calculated Property
Cp,gas	302.95	J/mol×K	353.78	Calculated Property
Cp,gas	351.33	J/mol×K	434.56	Calculated Property
Cp,gas	394.19	J/mol×K	515.33	Calculated Property
Cp,gas	431.68	J/mol×K	596.11	Calculated Property
Cp,gas	463.97	J/mol×K	676.89	Calculated Property
Cp,gas	491.22	J/mol×K	757.67	Calculated Property
Cp,gas	513.59	J/mol×K	838.44	Calculated Property
Cp,gas	531.26	J/mol×K	919.22	Calculated Property
Cp,gas	544.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020918; 0.0001522]	Pa×s	[366.00; 605.55]	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			-1.27942e+01
Coefficient B			2.42454e+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.			366.00
Temperature range, max.			605.55
η	0.0020918	Pa×s	366.00	Calculated Property
η	0.0013350	Pa×s	392.62	Calculated Property
η	0.0009020	Pa×s	419.23	Calculated Property
η	0.0006387	Pa×s	445.85	Calculated Property
η	0.0004701	Pa×s	472.47	Calculated Property
η	0.0003576	Pa×s	499.08	Calculated Property
η	0.0002796	Pa×s	525.70	Calculated Property
η	0.0002239	Pa×s	552.32	Calculated Property
η	0.0001830	Pa×s	578.93	Calculated Property
η	0.0001522	Pa×s	605.55	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, phenyl 2-chloroethyl 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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