Chemical Properties of 5-Chlorovaleric acid, 2-naphthyl ester

InChI

InChI=1S/C15H15ClO2/c16-10-4-3-7-15(17)18-14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11H,3-4,7,10H2

InChI Key

ZCUGJMUORSUDHD-UHFFFAOYSA-N

Formula

C15H15ClO2

SMILES

O=C(CCCCCl)Oc1ccc2ccccc2c1

Molecular Weight¹

262.73

• 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	[257.73; 597.22]	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			-2.34960e+01
Coefficient B			1.23870e+00
Coefficient C			-8.18880e-04
Coefficient D			2.00900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	257.73	J/mol×K	273.00	Calculated Property
Cp,gas	321.13	J/mol×K	353.78	Calculated Property
Cp,gas	376.64	J/mol×K	434.56	Calculated Property
Cp,gas	424.87	J/mol×K	515.33	Calculated Property
Cp,gas	466.48	J/mol×K	596.11	Calculated Property
Cp,gas	502.08	J/mol×K	676.89	Calculated Property
Cp,gas	532.32	J/mol×K	757.67	Calculated Property
Cp,gas	557.84	J/mol×K	838.44	Calculated Property
Cp,gas	579.26	J/mol×K	919.22	Calculated Property
Cp,gas	597.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015085; 0.0002479]	Pa×s	[402.70; 638.64]	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			-1.13849e+01
Coefficient B			1.96848e+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.			402.70
Temperature range, max.			638.64
η	0.0015085	Pa×s	402.70	Calculated Property
η	0.0011189	Pa×s	428.92	Calculated Property
η	0.0008590	Pa×s	455.13	Calculated Property
η	0.0006787	Pa×s	481.35	Calculated Property
η	0.0005495	Pa×s	507.56	Calculated Property
η	0.0004542	Pa×s	533.78	Calculated Property
η	0.0003822	Pa×s	559.99	Calculated Property
η	0.0003266	Pa×s	586.21	Calculated Property
η	0.0002829	Pa×s	612.42	Calculated Property
η	0.0002479	Pa×s	638.64	Calculated Property

Similar Compounds

Find more compounds similar to 5-Chlorovaleric 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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