Chemical Properties of 1-Naphthaleneacetic acid, hept-2-yl ester

InChI

InChI=1S/C19H24O2/c1-3-4-5-9-15(2)21-19(20)14-17-12-8-11-16-10-6-7-13-18(16)17/h6-8,10-13,15H,3-5,9,14H2,1-2H3

InChI Key

WHRWQXSIZHRSRB-UHFFFAOYSA-N

Formula

C19H24O2

SMILES

CCCCCC(C)OC(=O)Cc1cccc2ccccc12

Molecular Weight¹

284.39

• ω : Acentric Factor.
• 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).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation 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	[328.86; 795.85]	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			-4.17050e+01
Coefficient B			1.61784e+00
Coefficient C			-1.01928e-03
Coefficient D			2.39000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	328.86	J/mol×K	273.00	Calculated Property
Cp,gas	413.66	J/mol×K	353.78	Calculated Property
Cp,gas	488.47	J/mol×K	434.56	Calculated Property
Cp,gas	554.04	J/mol×K	515.33	Calculated Property
Cp,gas	611.13	J/mol×K	596.11	Calculated Property
Cp,gas	660.50	J/mol×K	676.89	Calculated Property
Cp,gas	702.90	J/mol×K	757.67	Calculated Property
Cp,gas	739.09	J/mol×K	838.44	Calculated Property
Cp,gas	769.82	J/mol×K	919.22	Calculated Property
Cp,gas	795.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015776; 0.0001789]	Pa×s	[402.86; 667.60]	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			-1.19416e+01
Coefficient B			2.21162e+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.			402.86
Temperature range, max.			667.60
η	0.0015776	Pa×s	402.86	Calculated Property
η	0.0010858	Pa×s	432.28	Calculated Property
η	0.0007838	Pa×s	461.69	Calculated Property
η	0.0005883	Pa×s	491.11	Calculated Property
η	0.0004561	Pa×s	520.52	Calculated Property
η	0.0003634	Pa×s	549.94	Calculated Property
η	0.0002963	Pa×s	579.36	Calculated Property
η	0.0002464	Pa×s	608.77	Calculated Property
η	0.0002084	Pa×s	638.19	Calculated Property
η	0.0001789	Pa×s	667.60	Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthaleneacetic acid, hept-2-yl ester.

Sources

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

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