Chemical Properties of Octan-2-yl 3-chlorobenzoate

InChI

InChI=1S/C15H21ClO2/c1-3-4-5-6-8-12(2)18-15(17)13-9-7-10-14(16)11-13/h7,9-12H,3-6,8H2,1-2H3

InChI Key

DRJCEVLJJXITPT-UHFFFAOYSA-N

Formula

C15H21ClO2

SMILES

CCCCCCC(C)OC(=O)c1cccc(Cl)c1

Molecular Weight¹

268.78

• 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).
• 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).
• 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, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[298.41; 688.54]	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			6.26500e+00
Coefficient B			1.24834e+00
Coefficient C			-6.85360e-04
Coefficient D			1.19300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	298.41	J/mol×K	273.00	Calculated Property
Cp,gas	367.40	J/mol×K	353.78	Calculated Property
Cp,gas	429.11	J/mol×K	434.56	Calculated Property
Cp,gas	483.89	J/mol×K	515.33	Calculated Property
Cp,gas	532.14	J/mol×K	596.11	Calculated Property
Cp,gas	574.23	J/mol×K	676.89	Calculated Property
Cp,gas	610.54	J/mol×K	757.67	Calculated Property
Cp,gas	641.45	J/mol×K	838.44	Calculated Property
Cp,gas	667.32	J/mol×K	919.22	Calculated Property
Cp,gas	688.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021802; 0.0001435]	Pa×s	[355.00; 611.25]	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			-1.26181e+01
Coefficient B			2.30386e+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.			355.00
Temperature range, max.			611.25
η	0.0021802	Pa×s	355.00	Calculated Property
η	0.0013466	Pa×s	383.47	Calculated Property
η	0.0008890	Pa×s	411.95	Calculated Property
η	0.0006192	Pa×s	440.42	Calculated Property
η	0.0004507	Pa×s	468.89	Calculated Property
η	0.0003402	Pa×s	497.36	Calculated Property
η	0.0002647	Pa×s	525.84	Calculated Property
η	0.0002114	Pa×s	554.31	Calculated Property
η	0.0001725	Pa×s	582.78	Calculated Property
η	0.0001435	Pa×s	611.25	Calculated Property

Similar Compounds

Find more compounds similar to Octan-2-yl 3-chlorobenzoate.

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.