Chemical Properties of Phthalic acid, 2-chloropropyl isobutyl ester

InChI

InChI=1S/C15H19ClO4/c1-10(2)8-19-14(17)12-6-4-5-7-13(12)15(18)20-9-11(3)16/h4-7,10-11H,8-9H2,1-3H3

InChI Key

IJGZXOXUGIBFIO-UHFFFAOYSA-N

Formula

C15H19ClO4

SMILES

CC(C)COC(=O)c1ccccc1C(=O)OCC(C)Cl

Molecular Weight¹

298.76

• 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).
• 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, 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	[314.43; 697.19]	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			2.99920e+01
Coefficient B			1.19946e+00
Coefficient C			-5.93960e-04
Coefficient D			6.17000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	314.43	J/mol×K	273.00	Calculated Property
Cp,gas	382.73	J/mol×K	353.78	Calculated Property
Cp,gas	444.12	J/mol×K	434.56	Calculated Property
Cp,gas	498.82	J/mol×K	515.33	Calculated Property
Cp,gas	547.01	J/mol×K	596.11	Calculated Property
Cp,gas	588.89	J/mol×K	676.89	Calculated Property
Cp,gas	624.65	J/mol×K	757.67	Calculated Property
Cp,gas	654.49	J/mol×K	838.44	Calculated Property
Cp,gas	678.61	J/mol×K	919.22	Calculated Property
Cp,gas	697.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018936; 0.0000961]	Pa×s	[382.33; 656.03]	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			-1.34133e+01
Coefficient B			2.73140e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			382.33
Temperature range, max.			656.03
η	0.0018936	Pa×s	382.33	Calculated Property
η	0.0011186	Pa×s	412.74	Calculated Property
η	0.0007103	Pa×s	443.15	Calculated Property
η	0.0004781	Pa×s	473.56	Calculated Property
η	0.0003376	Pa×s	503.98	Calculated Property
η	0.0002480	Pa×s	534.39	Calculated Property
η	0.0001883	Pa×s	564.80	Calculated Property
η	0.0001471	Pa×s	595.21	Calculated Property
η	0.0001177	Pa×s	625.62	Calculated Property
η	0.0000961	Pa×s	656.03	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2-chloropropyl isobutyl ester.

Sources

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

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