Chemical Properties of Cyclobutanecarboxylic acid, 3,5-dimethylphenyl ester

InChI

InChI=1S/C13H16O2/c1-9-6-10(2)8-12(7-9)15-13(14)11-4-3-5-11/h6-8,11H,3-5H2,1-2H3

InChI Key

SURSLDJUSQACFX-UHFFFAOYSA-N

Formula

C13H16O2

SMILES

Cc1cc(C)cc(OC(=O)C2CCC2)c1

Molecular Weight¹

204.26

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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, 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	[217.11; 555.03]	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			-4.41900e+01
Coefficient B			1.12744e+00
Coefficient C			-6.59720e-04
Coefficient D			1.31500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	217.11	J/mol×K	273.00	Calculated Property
Cp,gas	277.93	J/mol×K	353.78	Calculated Property
Cp,gas	331.96	J/mol×K	434.56	Calculated Property
Cp,gas	379.61	J/mol×K	515.33	Calculated Property
Cp,gas	421.31	J/mol×K	596.11	Calculated Property
Cp,gas	457.47	J/mol×K	676.89	Calculated Property
Cp,gas	488.51	J/mol×K	757.67	Calculated Property
Cp,gas	514.84	J/mol×K	838.44	Calculated Property
Cp,gas	536.87	J/mol×K	919.22	Calculated Property
Cp,gas	555.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018505; 0.0002981]	Pa×s	[344.48; 579.01]	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			-1.07996e+01
Coefficient B			1.55267e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			344.48
Temperature range, max.			579.01
η	0.0018505	Pa×s	344.48	Calculated Property
η	0.0013478	Pa×s	370.54	Calculated Property
η	0.0010234	Pa×s	396.60	Calculated Property
η	0.0008040	Pa×s	422.66	Calculated Property
η	0.0006495	Pa×s	448.72	Calculated Property
η	0.0005372	Pa×s	474.77	Calculated Property
η	0.0004531	Pa×s	500.83	Calculated Property
η	0.0003887	Pa×s	526.89	Calculated Property
η	0.0003383	Pa×s	552.95	Calculated Property
η	0.0002981	Pa×s	579.01	Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutanecarboxylic acid, 3,5-dimethylphenyl 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

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