Chemical Properties of 4-Chlorobenzyl benzoate (CAS 20386-93-0)

InChI

InChI=1S/C14H11ClO2/c15-13-8-6-11(7-9-13)10-17-14(16)12-4-2-1-3-5-12/h1-9H,10H2

InChI Key

ARLTXMAKDGVKNK-UHFFFAOYSA-N

Formula

C14H11ClO2

SMILES

O=C(OCc1ccc(Cl)cc1)c1ccccc1

Molecular Weight¹

246.69

CAS

20386-93-0

• 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).
• 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	[220.25; 517.89]	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			-2.50490e+01
Coefficient B			1.06850e+00
Coefficient C			-6.58960e-04
Coefficient D			1.33400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	220.25	J/mol×K	273.00	Calculated Property
Cp,gas	276.39	J/mol×K	353.78	Calculated Property
Cp,gas	325.78	J/mol×K	434.56	Calculated Property
Cp,gas	368.84	J/mol×K	515.33	Calculated Property
Cp,gas	405.99	J/mol×K	596.11	Calculated Property
Cp,gas	437.66	J/mol×K	676.89	Calculated Property
Cp,gas	464.26	J/mol×K	757.67	Calculated Property
Cp,gas	486.22	J/mol×K	838.44	Calculated Property
Cp,gas	503.95	J/mol×K	919.22	Calculated Property
Cp,gas	517.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014604; 0.0001470]	Pa×s	[385.15; 642.97]	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			-1.22549e+01
Coefficient B			2.20530e+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.			385.15
Temperature range, max.			642.97
η	0.0014604	Pa×s	385.15	Calculated Property
η	0.0009825	Pa×s	413.80	Calculated Property
η	0.0006958	Pa×s	442.44	Calculated Property
η	0.0005139	Pa×s	471.09	Calculated Property
η	0.0003929	Pa×s	499.73	Calculated Property
η	0.0003093	Pa×s	528.38	Calculated Property
η	0.0002496	Pa×s	557.03	Calculated Property
η	0.0002056	Pa×s	585.67	Calculated Property
η	0.0001725	Pa×s	614.32	Calculated Property
η	0.0001470	Pa×s	642.97	Calculated Property

Similar Compounds

Find more compounds similar to 4-Chlorobenzyl benzoate.

Sources

• Cheméo Relay (1.0)
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.