Chemical Properties of 2-((But-3-enyloxy)carbonyl)benzoic acid

InChI

InChI=1S/C12H12O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h2,4-7H,1,3,8H2,(H,13,14)

InChI Key

ITFNEGUSSAPBNU-UHFFFAOYSA-N

Formula

C12H12O4

SMILES

C=CCCOC(=O)c1ccccc1C(=O)O

Molecular Weight¹

220.22

• 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).
• 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, 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	[225.49; 507.23]	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			-6.08000e-01
Coefficient B			9.81400e-01
Coefficient C			-5.94060e-04
Coefficient D			1.20500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	225.49	J/mol×K	273.00	Calculated Property
Cp,gas	277.57	J/mol×K	353.78	Calculated Property
Cp,gas	323.57	J/mol×K	434.56	Calculated Property
Cp,gas	363.87	J/mol×K	515.33	Calculated Property
Cp,gas	398.84	J/mol×K	596.11	Calculated Property
Cp,gas	428.88	J/mol×K	676.89	Calculated Property
Cp,gas	454.35	J/mol×K	757.67	Calculated Property
Cp,gas	475.65	J/mol×K	838.44	Calculated Property
Cp,gas	493.15	J/mol×K	919.22	Calculated Property
Cp,gas	507.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008211; 0.0001785]	Pa×s	[465.11; 647.89]	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			-1.25144e+01
Coefficient B			2.51602e+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.			465.11
Temperature range, max.			647.89
η	0.0008211	Pa×s	465.11	Calculated Property
η	0.0006548	Pa×s	485.42	Calculated Property
η	0.0005318	Pa×s	505.73	Calculated Property
η	0.0004388	Pa×s	526.04	Calculated Property
η	0.0003674	Pa×s	546.35	Calculated Property
η	0.0003115	Pa×s	566.66	Calculated Property
η	0.0002671	Pa×s	586.97	Calculated Property
η	0.0002314	Pa×s	607.27	Calculated Property
η	0.0002024	Pa×s	627.58	Calculated Property
η	0.0001785	Pa×s	647.89	Calculated Property

Similar Compounds

Find more compounds similar to 2-((But-3-enyloxy)carbonyl)benzoic acid.

Sources

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

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