Chemical Properties of 1-naphthaleneacetic acid, heptyl ester (CAS 2876-72-4)

InChI

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

InChI Key

AQOHGCUPDSXLGK-UHFFFAOYSA-N

Formula

C19H24O2

SMILES

CCCCCCCOC(=O)Cc1cccc2ccccc12

Molecular Weight¹

284.39

CAS

2876-72-4

• ω : Acentric Factor.
• 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).
• 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 Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[329.18; 795.32]	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			-4.00230e+01
Coefficient B			1.61192e+00
Coefficient C			-1.01608e-03
Coefficient D			2.39500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	329.18	J/mol×K	273.00	Calculated Property
Cp,gas	413.67	J/mol×K	353.78	Calculated Property
Cp,gas	488.22	J/mol×K	434.56	Calculated Property
Cp,gas	553.59	J/mol×K	515.33	Calculated Property
Cp,gas	610.53	J/mol×K	596.11	Calculated Property
Cp,gas	659.80	J/mol×K	676.89	Calculated Property
Cp,gas	702.15	J/mol×K	757.67	Calculated Property
Cp,gas	738.35	J/mol×K	838.44	Calculated Property
Cp,gas	769.16	J/mol×K	919.22	Calculated Property
Cp,gas	795.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013530; 0.0001951]	Pa×s	[417.86; 665.61]	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			-1.18076e+01
Coefficient B			2.17380e+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.			417.86
Temperature range, max.			665.61
η	0.0013530	Pa×s	417.86	Calculated Property
η	0.0009810	Pa×s	445.39	Calculated Property
η	0.0007384	Pa×s	472.92	Calculated Property
η	0.0005734	Pa×s	500.44	Calculated Property
η	0.0004572	Pa×s	527.97	Calculated Property
η	0.0003728	Pa×s	555.50	Calculated Property
η	0.0003099	Pa×s	583.03	Calculated Property
η	0.0002620	Pa×s	610.56	Calculated Property
η	0.0002247	Pa×s	638.08	Calculated Property
η	0.0001951	Pa×s	665.61	Calculated Property

Similar Compounds

Find more compounds similar to 1-naphthaleneacetic acid, heptyl ester.

Sources

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

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