Chemical Properties of Isopropyl methyl phthalate (CAS 71369-19-2)

InChI

InChI=1S/C12H14O4/c1-8(2)16-12(14)10-7-5-4-6-9(10)11(13)15-3/h4-8H,1-3H3

InChI Key

PKHPNDWTECXJSX-UHFFFAOYSA-N

Formula

C12H14O4

SMILES

COC(=O)c1ccccc1C(=O)OC(C)C

Molecular Weight¹

222.24

CAS

71369-19-2

Other Names

• 1,2-Benzenedicarboxylic acid, isopropyl methyl ester

• ω : Acentric Factor.
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[237.70; 533.61]	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			2.15100e+01
Coefficient B			9.01760e-01
Coefficient C			-4.07160e-04
Coefficient D			1.75000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	237.70	J/mol×K	273.00	Calculated Property
Cp,gas	290.35	J/mol×K	353.78	Calculated Property
Cp,gas	337.92	J/mol×K	434.56	Calculated Property
Cp,gas	380.48	J/mol×K	515.33	Calculated Property
Cp,gas	418.08	J/mol×K	596.11	Calculated Property
Cp,gas	450.78	J/mol×K	676.89	Calculated Property
Cp,gas	478.62	J/mol×K	757.67	Calculated Property
Cp,gas	501.67	J/mol×K	838.44	Calculated Property
Cp,gas	519.98	J/mol×K	919.22	Calculated Property
Cp,gas	533.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025535; 0.0001440]	Pa×s	[333.60; 583.52]	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			-1.26842e+01
Coefficient B			2.23978e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			333.60
Temperature range, max.			583.52
η	0.0025535	Pa×s	333.60	Calculated Property
η	0.0015243	Pa×s	361.37	Calculated Property
η	0.0009795	Pa×s	389.14	Calculated Property
η	0.0006676	Pa×s	416.91	Calculated Property
η	0.0004773	Pa×s	444.68	Calculated Property
η	0.0003550	Pa×s	472.45	Calculated Property
η	0.0002728	Pa×s	500.21	Calculated Property
η	0.0002156	Pa×s	527.98	Calculated Property
η	0.0001744	Pa×s	555.75	Calculated Property
η	0.0001440	Pa×s	583.52	Calculated Property

Similar Compounds

Find more compounds similar to Isopropyl methyl phthalate.

Sources

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

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