Chemical Properties of 1-Naphthoic acid, oct-3-en-2-yl ester

InChI

InChI=1S/C19H22O2/c1-3-4-5-6-10-15(2)21-19(20)18-14-9-12-16-11-7-8-13-17(16)18/h6-15H,3-5H2,1-2H3/b10-6+

InChI Key

LNTUTQXSICAIDV-UXBLZVDNSA-N

Formula

C19H22O2

SMILES

CCCCC=CC(C)OC(=O)c1cccc2ccccc12

Molecular Weight¹

282.38

• 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

Property	Value	Unit	Source
ΔfusH°	36.69	kJ/mol	Joback Calculated Property
IE	8.16	eV	Relay (1.0) Calculated Property
logPoct/wat	5.131		Crippen Calculated Property
McVol	238.490	ml/mol	McGowan Calculated Property
Inp	[2192.00; 2192.00]
Inp	2192.00		NIST
Inp	2192.00		NIST
Tboil	629.20	K	Relay (1.0) Calculated Property
Tfus	285.08	K	Relay (1.0) Calculated Property

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	[314.86; 765.27]	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			-5.58870e+01
Coefficient B			1.63784e+00
Coefficient C			-1.10308e-03
Coefficient D			2.86400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	314.86	J/mol×K	273.00	Calculated Property
Cp,gas	398.17	J/mol×K	353.78	Calculated Property
Cp,gas	471.04	J/mol×K	434.56	Calculated Property
Cp,gas	534.40	J/mol×K	515.33	Calculated Property
Cp,gas	589.14	J/mol×K	596.11	Calculated Property
Cp,gas	636.16	J/mol×K	676.89	Calculated Property
Cp,gas	676.39	J/mol×K	757.67	Calculated Property
Cp,gas	710.71	J/mol×K	838.44	Calculated Property
Cp,gas	740.03	J/mol×K	919.22	Calculated Property
Cp,gas	765.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014524; 0.0001513]	Pa×s	[397.78; 675.53]	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			-1.20347e+01
Coefficient B			2.18786e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			397.78
Temperature range, max.			675.53
η	0.0014524	Pa×s	397.78	Calculated Property
η	0.0009775	Pa×s	428.64	Calculated Property
η	0.0006938	Pa×s	459.50	Calculated Property
η	0.0005141	Pa×s	490.36	Calculated Property
η	0.0003948	Pa×s	521.22	Calculated Property
η	0.0003122	Pa×s	552.08	Calculated Property
η	0.0002531	Pa×s	582.95	Calculated Property
η	0.0002096	Pa×s	613.81	Calculated Property
η	0.0001767	Pa×s	644.67	Calculated Property
η	0.0001513	Pa×s	675.53	Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthoic acid, oct-3-en-2-yl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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