Chemical Properties of Benzoic acid, 10-chlorodecyl ester

InChI

InChI=1S/C17H25ClO2/c18-14-10-5-3-1-2-4-6-11-15-20-17(19)16-12-8-7-9-13-16/h7-9,12-13H,1-6,10-11,14-15H2

InChI Key

RUTRECRHHBPSSS-UHFFFAOYSA-N

Formula

C17H25ClO2

SMILES

O=C(OCCCCCCCCCCCl)c1ccccc1

Molecular Weight¹

296.83

• 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).
• 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).
• 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	[338.60; 794.23]	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			-8.17000e+00
Coefficient B			1.49190e+00
Coefficient C			-8.58000e-04
Coefficient D			1.68500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	338.60	J/mol×K	273.00	Calculated Property
Cp,gas	419.71	J/mol×K	353.78	Calculated Property
Cp,gas	491.95	J/mol×K	434.56	Calculated Property
Cp,gas	555.86	J/mol×K	515.33	Calculated Property
Cp,gas	611.97	J/mol×K	596.11	Calculated Property
Cp,gas	660.82	J/mol×K	676.89	Calculated Property
Cp,gas	702.94	J/mol×K	757.67	Calculated Property
Cp,gas	738.86	J/mol×K	838.44	Calculated Property
Cp,gas	769.11	J/mol×K	919.22	Calculated Property
Cp,gas	794.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018670; 0.0001328]	Pa×s	[380.02; 634.28]	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			-1.28768e+01
Coefficient B			2.50562e+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.			380.02
Temperature range, max.			634.28
η	0.0018670	Pa×s	380.02	Calculated Property
η	0.0011830	Pa×s	408.27	Calculated Property
η	0.0007953	Pa×s	436.52	Calculated Property
η	0.0005610	Pa×s	464.77	Calculated Property
η	0.0004119	Pa×s	493.02	Calculated Property
η	0.0003128	Pa×s	521.27	Calculated Property
η	0.0002443	Pa×s	549.53	Calculated Property
η	0.0001955	Pa×s	577.78	Calculated Property
η	0.0001597	Pa×s	606.03	Calculated Property
η	0.0001328	Pa×s	634.28	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 10-chlorodecyl ester.

Sources

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

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