Chemical Properties of Cyclobutanecarboxylic acid, 2-methylphenyl ester

InChI

InChI=1S/C12H14O2/c1-9-5-2-3-8-11(9)14-12(13)10-6-4-7-10/h2-3,5,8,10H,4,6-7H2,1H3

InChI Key

SEDNNRYMATWNAA-UHFFFAOYSA-N

Formula

C12H14O2

SMILES

Cc1ccccc1OC(=O)C1CCC1

Molecular Weight¹

190.24

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[193.34; 506.48]	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			-5.75800e+01
Coefficient B			1.09192e+00
Coefficient C			-6.72360e-04
Coefficient D			1.44500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	193.34	J/mol×K	273.00	Calculated Property
Cp,gas	250.96	J/mol×K	353.78	Calculated Property
Cp,gas	301.81	J/mol×K	434.56	Calculated Property
Cp,gas	346.34	J/mol×K	515.33	Calculated Property
Cp,gas	385.01	J/mol×K	596.11	Calculated Property
Cp,gas	418.28	J/mol×K	676.89	Calculated Property
Cp,gas	446.61	J/mol×K	757.67	Calculated Property
Cp,gas	470.44	J/mol×K	838.44	Calculated Property
Cp,gas	490.25	J/mol×K	919.22	Calculated Property
Cp,gas	506.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023395; 0.0003102]	Pa×s	[320.69; 561.80]	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			-1.07657e+01
Coefficient B			1.50977e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			320.69
Temperature range, max.			561.80
η	0.0023395	Pa×s	320.69	Calculated Property
η	0.0016274	Pa×s	347.48	Calculated Property
η	0.0011924	Pa×s	374.27	Calculated Property
η	0.0009107	Pa×s	401.06	Calculated Property
η	0.0007195	Pa×s	427.85	Calculated Property
η	0.0005844	Pa×s	454.64	Calculated Property
η	0.0004858	Pa×s	481.43	Calculated Property
η	0.0004118	Pa×s	508.22	Calculated Property
η	0.0003549	Pa×s	535.01	Calculated Property
η	0.0003102	Pa×s	561.80	Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutanecarboxylic acid, 2-methylphenyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.