Chemical Properties of 6-Chlorohexanoic acid, 2-naphthyl ester

InChI

InChI=1S/C16H17ClO2/c17-11-5-1-2-8-16(18)19-15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12H,1-2,5,8,11H2

InChI Key

BPYZYGDDNGIIMV-UHFFFAOYSA-N

Formula

C16H17ClO2

SMILES

O=C(CCCCCCl)Oc1ccc2ccccc2c1

Molecular Weight¹

276.76

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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 Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[278.94; 648.82]	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			-2.44050e+01
Coefficient B			1.33370e+00
Coefficient C			-8.73280e-04
Coefficient D			2.12800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	278.94	J/mol×K	273.00	Calculated Property
Cp,gas	347.55	J/mol×K	353.78	Calculated Property
Cp,gas	407.72	J/mol×K	434.56	Calculated Property
Cp,gas	460.10	J/mol×K	515.33	Calculated Property
Cp,gas	505.39	J/mol×K	596.11	Calculated Property
Cp,gas	544.24	J/mol×K	676.89	Calculated Property
Cp,gas	577.34	J/mol×K	757.67	Calculated Property
Cp,gas	605.35	J/mol×K	838.44	Calculated Property
Cp,gas	628.95	J/mol×K	919.22	Calculated Property
Cp,gas	648.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014312; 0.0002321]	Pa×s	[413.97; 652.06]	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			-1.15318e+01
Coefficient B			2.06264e+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.			413.97
Temperature range, max.			652.06
η	0.0014312	Pa×s	413.97	Calculated Property
η	0.0010610	Pa×s	440.42	Calculated Property
η	0.0008137	Pa×s	466.88	Calculated Property
η	0.0006421	Pa×s	493.33	Calculated Property
η	0.0005190	Pa×s	519.79	Calculated Property
η	0.0004283	Pa×s	546.24	Calculated Property
η	0.0003597	Pa×s	572.69	Calculated Property
η	0.0003068	Pa×s	599.15	Calculated Property
η	0.0002653	Pa×s	625.60	Calculated Property
η	0.0002321	Pa×s	652.06	Calculated Property

Similar Compounds

Find more compounds similar to 6-Chlorohexanoic acid, 2-naphthyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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