Chemical Properties of 1-Naphthoic acid, 3-chloroprop-2-enyl ester

InChI

InChI=1S/C14H11ClO2/c15-9-4-10-17-14(16)13-8-3-6-11-5-1-2-7-12(11)13/h1-9H,10H2/b9-4+

InChI Key

OAUXYJNCYQYCJW-RUDMXATFSA-N

Formula

C14H11ClO2

SMILES

O=C(OCC=CCl)c1cccc2ccccc12

Molecular Weight¹

246.69

• 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).
• 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 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	[222.51; 515.05]	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			-3.67690e+01
Coefficient B			1.16370e+00
Coefficient C			-8.48280e-04
Coefficient D			2.36400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	222.51	J/mol×K	273.00	Calculated Property
Cp,gas	279.22	J/mol×K	353.78	Calculated Property
Cp,gas	328.13	J/mol×K	434.56	Calculated Property
Cp,gas	370.00	J/mol×K	515.33	Calculated Property
Cp,gas	405.57	J/mol×K	596.11	Calculated Property
Cp,gas	435.58	J/mol×K	676.89	Calculated Property
Cp,gas	460.79	J/mol×K	757.67	Calculated Property
Cp,gas	481.94	J/mol×K	838.44	Calculated Property
Cp,gas	499.77	J/mol×K	919.22	Calculated Property
Cp,gas	515.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014373; 0.0002203]	Pa×s	[386.35; 634.97]	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			-1.13349e+01
Coefficient B			1.85056e+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.			386.35
Temperature range, max.			634.97
η	0.0014373	Pa×s	386.35	Calculated Property
η	0.0010441	Pa×s	413.97	Calculated Property
η	0.0007894	Pa×s	441.60	Calculated Property
η	0.0006168	Pa×s	469.22	Calculated Property
η	0.0004953	Pa×s	496.85	Calculated Property
η	0.0004071	Pa×s	524.47	Calculated Property
η	0.0003412	Pa×s	552.10	Calculated Property
η	0.0002908	Pa×s	579.72	Calculated Property
η	0.0002515	Pa×s	607.35	Calculated Property
η	0.0002203	Pa×s	634.97	Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthoic acid, 3-chloroprop-2-enyl 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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