Chemical Properties of Succinic acid, 2-isopropoxyphenyl 2-chloroethyl ester

InChI

InChI=1S/C15H19ClO5/c1-11(2)20-12-5-3-4-6-13(12)21-15(18)8-7-14(17)19-10-9-16/h3-6,11H,7-10H2,1-2H3

InChI Key

POYYKUSQGBZQIL-UHFFFAOYSA-N

Formula

C15H19ClO5

SMILES

CC(C)Oc1ccccc1OC(=O)CCC(=O)OCCCl

Molecular Weight¹

314.76

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[330.15; 715.15]	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			5.71740e+01
Coefficient B			1.13034e+00
Coefficient C			-4.79760e-04
Coefficient D			7.40000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	330.15	J/mol×K	273.00	Calculated Property
Cp,gas	397.34	J/mol×K	353.78	Calculated Property
Cp,gas	458.38	J/mol×K	434.56	Calculated Property
Cp,gas	513.28	J/mol×K	515.33	Calculated Property
Cp,gas	562.07	J/mol×K	596.11	Calculated Property
Cp,gas	604.77	J/mol×K	676.89	Calculated Property
Cp,gas	641.40	J/mol×K	757.67	Calculated Property
Cp,gas	672.00	J/mol×K	838.44	Calculated Property
Cp,gas	696.57	J/mol×K	919.22	Calculated Property
Cp,gas	715.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010056; 0.0000825]	Pa×s	[419.56; 668.78]	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			-1.36132e+01
Coefficient B			2.81567e+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.			419.56
Temperature range, max.			668.78
η	0.0010056	Pa×s	419.56	Calculated Property
η	0.0006637	Pa×s	447.25	Calculated Property
η	0.0004598	Pa×s	474.94	Calculated Property
η	0.0003317	Pa×s	502.63	Calculated Property
η	0.0002476	Pa×s	530.32	Calculated Property
η	0.0001902	Pa×s	558.02	Calculated Property
η	0.0001499	Pa×s	585.71	Calculated Property
η	0.0001206	Pa×s	613.40	Calculated Property
η	0.0000989	Pa×s	641.09	Calculated Property
η	0.0000825	Pa×s	668.78	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-isopropoxyphenyl 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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