Chemical Properties of 1-Naphthoic acid, undec-2-enyl ester

InChI

InChI=1S/C22H28O2/c1-2-3-4-5-6-7-8-9-12-18-24-22(23)21-17-13-15-19-14-10-11-16-20(19)21/h9-17H,2-8,18H2,1H3/b12-9+

InChI Key

VYEGLAUDOQKZHQ-FMIVXFBMSA-N

Formula

C22H28O2

SMILES

CCCCCCCC/C=C/COC(=O)c1cccc2ccccc12

Molecular Weight¹

324.46

• 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	[378.81; 919.51]	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			-5.69320e+01
Coefficient B			1.91692e+00
Coefficient C			-1.26308e-03
Coefficient D			3.22600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	378.81	J/mol×K	273.00	Calculated Property
Cp,gas	477.43	J/mol×K	353.78	Calculated Property
Cp,gas	564.03	J/mol×K	434.56	Calculated Property
Cp,gas	639.64	J/mol×K	515.33	Calculated Property
Cp,gas	705.27	J/mol×K	596.11	Calculated Property
Cp,gas	761.94	J/mol×K	676.89	Calculated Property
Cp,gas	810.69	J/mol×K	757.67	Calculated Property
Cp,gas	852.51	J/mol×K	838.44	Calculated Property
Cp,gas	888.45	J/mol×K	919.22	Calculated Property
Cp,gas	919.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009958; 0.0001275]	Pa×s	[446.59; 717.25]	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			-1.23588e+01
Coefficient B			2.43252e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			446.59
Temperature range, max.			717.25
η	0.0009958	Pa×s	446.59	Calculated Property
η	0.0007062	Pa×s	476.66	Calculated Property
η	0.0005217	Pa×s	506.74	Calculated Property
η	0.0003987	Pa×s	536.81	Calculated Property
η	0.0003135	Pa×s	566.88	Calculated Property
η	0.0002525	Pa×s	596.96	Calculated Property
η	0.0002077	Pa×s	627.03	Calculated Property
η	0.0001739	Pa×s	657.10	Calculated Property
η	0.0001479	Pa×s	687.18	Calculated Property
η	0.0001275	Pa×s	717.25	Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthoic acid, undec-2-enyl ester.

Sources

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

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