Chemical Properties of 3-Phenylpropionic acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C15H12Cl2O2/c16-13-8-7-12(10-14(13)17)19-15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2

InChI Key

FQOCOCXQBBVPNZ-UHFFFAOYSA-N

Formula

C15H12Cl2O2

SMILES

O=C(CCc1ccccc1)Oc1ccc(Cl)c(Cl)c1

Molecular Weight¹

295.16

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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 Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[257.42; 574.71]	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			1.23200e+00
Coefficient B			1.11080e+00
Coefficient C			-6.66720e-04
Coefficient D			1.29400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	257.42	J/mol×K	273.00	Calculated Property
Cp,gas	316.49	J/mol×K	353.78	Calculated Property
Cp,gas	368.65	J/mol×K	434.56	Calculated Property
Cp,gas	414.31	J/mol×K	515.33	Calculated Property
Cp,gas	453.88	J/mol×K	596.11	Calculated Property
Cp,gas	487.77	J/mol×K	676.89	Calculated Property
Cp,gas	516.39	J/mol×K	757.67	Calculated Property
Cp,gas	540.15	J/mol×K	838.44	Calculated Property
Cp,gas	559.45	J/mol×K	919.22	Calculated Property
Cp,gas	574.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009479; 0.0001292]	Pa×s	[438.86; 687.26]	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			-1.24745e+01
Coefficient B			2.41952e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			438.86
Temperature range, max.			687.26
η	0.0009479	Pa×s	438.86	Calculated Property
η	0.0006840	Pa×s	466.46	Calculated Property
η	0.0005120	Pa×s	494.06	Calculated Property
η	0.0003951	Pa×s	521.66	Calculated Property
η	0.0003130	Pa×s	549.26	Calculated Property
η	0.0002535	Pa×s	576.86	Calculated Property
η	0.0002093	Pa×s	604.46	Calculated Property
η	0.0001757	Pa×s	632.06	Calculated Property
η	0.0001497	Pa×s	659.66	Calculated Property
η	0.0001292	Pa×s	687.26	Calculated Property

Similar Compounds

Find more compounds similar to 3-Phenylpropionic acid, 3,4-dichlorophenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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