Chemical Properties of 4-Methylpentan-2-yl 3-chlorobenzoate

InChI

InChI=1S/C13H17ClO2/c1-9(2)7-10(3)16-13(15)11-5-4-6-12(14)8-11/h4-6,8-10H,7H2,1-3H3

InChI Key

NODVZAWIUXDGOW-UHFFFAOYSA-N

Formula

C13H17ClO2

SMILES

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

Molecular Weight¹

240.73

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Volume, 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	[255.67; 585.90]	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			6.40100e+00
Coefficient B			1.06426e+00
Coefficient C			-5.79760e-04
Coefficient D			9.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	255.67	J/mol×K	273.00	Calculated Property
Cp,gas	314.56	J/mol×K	353.78	Calculated Property
Cp,gas	367.20	J/mol×K	434.56	Calculated Property
Cp,gas	413.89	J/mol×K	515.33	Calculated Property
Cp,gas	454.92	J/mol×K	596.11	Calculated Property
Cp,gas	490.62	J/mol×K	676.89	Calculated Property
Cp,gas	521.26	J/mol×K	757.67	Calculated Property
Cp,gas	547.15	J/mol×K	838.44	Calculated Property
Cp,gas	568.60	J/mol×K	919.22	Calculated Property
Cp,gas	585.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034094; 0.0001523]	Pa×s	[317.46; 586.04]	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			-1.24643e+01
Coefficient B			2.15336e+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.			317.46
Temperature range, max.			586.04
η	0.0034094	Pa×s	317.46	Calculated Property
η	0.0019035	Pa×s	347.30	Calculated Property
η	0.0011654	Pa×s	377.14	Calculated Property
η	0.0007668	Pa×s	406.99	Calculated Property
η	0.0005342	Pa×s	436.83	Calculated Property
η	0.0003898	Pa×s	466.67	Calculated Property
η	0.0002954	Pa×s	496.51	Calculated Property
η	0.0002310	Pa×s	526.35	Calculated Property
η	0.0001855	Pa×s	556.19	Calculated Property
η	0.0001523	Pa×s	586.04	Calculated Property

Similar Compounds

Find more compounds similar to 4-Methylpentan-2-yl 3-chlorobenzoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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