Chemical Properties of 2-(Propoxycarbonyl)benzoic acid

InChI

InChI=1S/C11H12O4/c1-2-7-15-11(14)9-6-4-3-5-8(9)10(12)13/h3-6H,2,7H2,1H3,(H,12,13)

InChI Key

NFOQRIXSEYVCJP-UHFFFAOYSA-N

Formula

C11H12O4

SMILES

CCCOC(=O)c1ccccc1C(=O)O

Molecular Weight¹

208.21

Other Names

• 1,2-Benzenedicarboxylic acid, 1-propyl ester
• Propyl hydrogen phthalate
• Monopropyl phthalate
• Phthalic acid, monopropyl 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	[214.09; 484.15]	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			3.29200e+00
Coefficient B			9.06420e-01
Coefficient C			-5.16760e-04
Coefficient D			9.12000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	214.09	J/mol×K	273.00	Calculated Property
Cp,gas	263.32	J/mol×K	353.78	Calculated Property
Cp,gas	307.08	J/mol×K	434.56	Calculated Property
Cp,gas	345.65	J/mol×K	515.33	Calculated Property
Cp,gas	379.31	J/mol×K	596.11	Calculated Property
Cp,gas	408.35	J/mol×K	676.89	Calculated Property
Cp,gas	433.07	J/mol×K	757.67	Calculated Property
Cp,gas	453.75	J/mol×K	838.44	Calculated Property
Cp,gas	470.68	J/mol×K	919.22	Calculated Property
Cp,gas	484.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008677; 0.0001868]	Pa×s	[455.60; 633.93]	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			-1.25084e+01
Coefficient B			2.48702e+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.			455.60
Temperature range, max.			633.93
η	0.0008677	Pa×s	455.60	Calculated Property
η	0.0006911	Pa×s	475.41	Calculated Property
η	0.0005606	Pa×s	495.23	Calculated Property
η	0.0004621	Pa×s	515.04	Calculated Property
η	0.0003864	Pa×s	534.86	Calculated Property
η	0.0003273	Pa×s	554.67	Calculated Property
η	0.0002804	Pa×s	574.48	Calculated Property
η	0.0002427	Pa×s	594.30	Calculated Property
η	0.0002121	Pa×s	614.11	Calculated Property
η	0.0001868	Pa×s	633.93	Calculated Property

Similar Compounds

Find more compounds similar to 2-(Propoxycarbonyl)benzoic acid.

Sources

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

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