Chemical Properties of 1-Naphthoic acid, 8-chlorooctyl ester

InChI

InChI=1S/C19H23ClO2/c20-14-7-3-1-2-4-8-15-22-19(21)18-13-9-11-16-10-5-6-12-17(16)18/h5-6,9-13H,1-4,7-8,14-15H2

InChI Key

CAPWQQHRUYOIBH-UHFFFAOYSA-N

Formula

C19H23ClO2

SMILES

O=C(OCCCCCCCCCl)c1cccc2ccccc12

Molecular Weight¹

318.84

• 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).
• 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_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, 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	[342.58; 803.59]	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			-2.71320e+01
Coefficient B			1.61870e+00
Coefficient C			-1.03648e-03
Coefficient D			2.48500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	342.58	J/mol×K	273.00	Calculated Property
Cp,gas	426.81	J/mol×K	353.78	Calculated Property
Cp,gas	500.95	J/mol×K	434.56	Calculated Property
Cp,gas	565.79	J/mol×K	515.33	Calculated Property
Cp,gas	622.12	J/mol×K	596.11	Calculated Property
Cp,gas	670.72	J/mol×K	676.89	Calculated Property
Cp,gas	712.39	J/mol×K	757.67	Calculated Property
Cp,gas	747.89	J/mol×K	838.44	Calculated Property
Cp,gas	778.03	J/mol×K	919.22	Calculated Property
Cp,gas	803.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011708; 0.0001824]	Pa×s	[447.78; 694.24]	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			-1.19873e+01
Coefficient B			2.34512e+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.			447.78
Temperature range, max.			694.24
η	0.0011708	Pa×s	447.78	Calculated Property
η	0.0008658	Pa×s	475.16	Calculated Property
η	0.0006616	Pa×s	502.55	Calculated Property
η	0.0005198	Pa×s	529.93	Calculated Property
η	0.0004182	Pa×s	557.32	Calculated Property
η	0.0003434	Pa×s	584.70	Calculated Property
η	0.0002870	Pa×s	612.09	Calculated Property
η	0.0002436	Pa×s	639.47	Calculated Property
η	0.0002095	Pa×s	666.86	Calculated Property
η	0.0001824	Pa×s	694.24	Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthoic acid, 8-chlorooctyl ester.

Sources

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

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