Chemical Properties of Benzoic acid, dec-2-yl ester

InChI

InChI=1S/C17H26O2/c1-3-4-5-6-7-9-12-15(2)19-17(18)16-13-10-8-11-14-16/h8,10-11,13-15H,3-7,9,12H2,1-2H3

InChI Key

WPQGCBLKSNYZOU-UHFFFAOYSA-N

Formula

C17H26O2

SMILES

CCCCCCCCC(C)OC(=O)c1ccccc1

Molecular Weight¹

262.39

• 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	[324.88; 786.50]	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			-2.27430e+01
Coefficient B			1.49104e+00
Coefficient C			-8.40800e-04
Coefficient D			1.59000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	324.88	J/mol×K	273.00	Calculated Property
Cp,gas	406.56	J/mol×K	353.78	Calculated Property
Cp,gas	479.47	J/mol×K	434.56	Calculated Property
Cp,gas	544.11	J/mol×K	515.33	Calculated Property
Cp,gas	600.99	J/mol×K	596.11	Calculated Property
Cp,gas	650.60	J/mol×K	676.89	Calculated Property
Cp,gas	693.46	J/mol×K	757.67	Calculated Property
Cp,gas	730.06	J/mol×K	838.44	Calculated Property
Cp,gas	760.90	J/mol×K	919.22	Calculated Property
Cp,gas	786.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031470; 0.0001319]	Pa×s	[335.10; 607.17]	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			-1.28402e+01
Coefficient B			2.37212e+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.			335.10
Temperature range, max.			607.17
η	0.0031470	Pa×s	335.10	Calculated Property
η	0.0017519	Pa×s	365.33	Calculated Property
η	0.0010666	Pa×s	395.56	Calculated Property
η	0.0006968	Pa×s	425.79	Calculated Property
η	0.0004816	Pa×s	456.02	Calculated Property
η	0.0003485	Pa×s	486.25	Calculated Property
η	0.0002620	Pa×s	516.48	Calculated Property
η	0.0002032	Pa×s	546.71	Calculated Property
η	0.0001619	Pa×s	576.94	Calculated Property
η	0.0001319	Pa×s	607.17	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, dec-2-yl ester.

Sources

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

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