Chemical Properties of Cyclobutanecarboxylic acid, 4-chlorophenyl ester

InChI

InChI=1S/C11H11ClO2/c12-9-4-6-10(7-5-9)14-11(13)8-2-1-3-8/h4-8H,1-3H2

InChI Key

KPTHQNDVUAFMRH-UHFFFAOYSA-N

Formula

C11H11ClO2

SMILES

O=C(Oc1ccc(Cl)cc1)C1CCC1

Molecular Weight¹

210.66

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[185.53; 463.16]	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			-4.37800e+01
Coefficient B			1.00370e+00
Coefficient C			-6.38360e-04
Coefficient D			1.41600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	185.53	J/mol×K	273.00	Calculated Property
Cp,gas	237.68	J/mol×K	353.78	Calculated Property
Cp,gas	283.46	J/mol×K	434.56	Calculated Property
Cp,gas	323.31	J/mol×K	515.33	Calculated Property
Cp,gas	357.69	J/mol×K	596.11	Calculated Property
Cp,gas	387.05	J/mol×K	676.89	Calculated Property
Cp,gas	411.82	J/mol×K	757.67	Calculated Property
Cp,gas	432.47	J/mol×K	838.44	Calculated Property
Cp,gas	449.43	J/mol×K	919.22	Calculated Property
Cp,gas	463.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022831; 0.0003313]	Pa×s	[339.34; 577.87]	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			-1.07588e+01
Coefficient B			1.58693e+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.			339.34
Temperature range, max.			577.87
η	0.0022831	Pa×s	339.34	Calculated Property
η	0.0016270	Pa×s	365.84	Calculated Property
η	0.0012138	Pa×s	392.35	Calculated Property
η	0.0009397	Pa×s	418.85	Calculated Property
η	0.0007500	Pa×s	445.35	Calculated Property
η	0.0006140	Pa×s	471.85	Calculated Property
η	0.0005134	Pa×s	498.36	Calculated Property
η	0.0004372	Pa×s	524.86	Calculated Property
η	0.0003780	Pa×s	551.36	Calculated Property
η	0.0003313	Pa×s	577.87	Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutanecarboxylic acid, 4-chlorophenyl 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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