Chemical Properties of Decan-2-yl 3-chlorobenzoate

InChI

InChI=1S/C17H25ClO2/c1-3-4-5-6-7-8-10-14(2)20-17(19)15-11-9-12-16(18)13-15/h9,11-14H,3-8,10H2,1-2H3

InChI Key

NNZBVJPJGGLPEB-UHFFFAOYSA-N

Formula

C17H25ClO2

SMILES

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

Molecular Weight¹

296.84

• 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	[340.84; 791.73]	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			4.44700e+00
Coefficient B			1.43834e+00
Coefficient C			-7.94160e-04
Coefficient D			1.43100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	340.84	J/mol×K	273.00	Calculated Property
Cp,gas	420.24	J/mol×K	353.78	Calculated Property
Cp,gas	491.26	J/mol×K	434.56	Calculated Property
Cp,gas	554.35	J/mol×K	515.33	Calculated Property
Cp,gas	609.97	J/mol×K	596.11	Calculated Property
Cp,gas	658.56	J/mol×K	676.89	Calculated Property
Cp,gas	700.58	J/mol×K	757.67	Calculated Property
Cp,gas	736.47	J/mol×K	838.44	Calculated Property
Cp,gas	766.71	J/mol×K	919.22	Calculated Property
Cp,gas	791.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018077; 0.0001205]	Pa×s	[377.54; 640.12]	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			-1.29168e+01
Coefficient B			2.49218e+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.			377.54
Temperature range, max.			640.12
η	0.0018077	Pa×s	377.54	Calculated Property
η	0.0011258	Pa×s	406.72	Calculated Property
η	0.0007471	Pa×s	435.89	Calculated Property
η	0.0005219	Pa×s	465.07	Calculated Property
η	0.0003804	Pa×s	494.24	Calculated Property
η	0.0002872	Pa×s	523.42	Calculated Property
η	0.0002233	Pa×s	552.59	Calculated Property
η	0.0001781	Pa×s	581.77	Calculated Property
η	0.0001452	Pa×s	610.94	Calculated Property
η	0.0001205	Pa×s	640.12	Calculated Property

Similar Compounds

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

Sources

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

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