Chemical Properties of 1-naphthaleneacetic acid, pentyl ester (CAS 2876-74-6)

InChI

InChI=1S/C17H20O2/c1-2-3-6-12-19-17(18)13-15-10-7-9-14-8-4-5-11-16(14)15/h4-5,7-11H,2-3,6,12-13H2,1H3

InChI Key

WTHHZUCMGNXCPB-UHFFFAOYSA-N

Formula

C17H20O2

SMILES

CCCCCOC(=O)Cc1cccc2ccccc12

Molecular Weight¹

256.34

CAS

2876-74-6

• 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	[286.75; 692.14]	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			-3.82050e+01
Coefficient B			1.42192e+00
Coefficient C			-9.07280e-04
Coefficient D			2.15700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	286.75	J/mol×K	273.00	Calculated Property
Cp,gas	360.84	J/mol×K	353.78	Calculated Property
Cp,gas	426.07	J/mol×K	434.56	Calculated Property
Cp,gas	483.13	J/mol×K	515.33	Calculated Property
Cp,gas	532.71	J/mol×K	596.11	Calculated Property
Cp,gas	575.48	J/mol×K	676.89	Calculated Property
Cp,gas	612.12	J/mol×K	757.67	Calculated Property
Cp,gas	643.33	J/mol×K	838.44	Calculated Property
Cp,gas	669.77	J/mol×K	919.22	Calculated Property
Cp,gas	692.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015170; 0.0002252]	Pa×s	[395.32; 637.37]	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			-1.15135e+01
Coefficient B			1.98548e+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.			395.32
Temperature range, max.			637.37
η	0.0015170	Pa×s	395.32	Calculated Property
η	0.0011017	Pa×s	422.21	Calculated Property
η	0.0008313	Pa×s	449.11	Calculated Property
η	0.0006475	Pa×s	476.00	Calculated Property
η	0.0005181	Pa×s	502.90	Calculated Property
η	0.0004240	Pa×s	529.79	Calculated Property
η	0.0003538	Pa×s	556.68	Calculated Property
η	0.0003002	Pa×s	583.58	Calculated Property
η	0.0002584	Pa×s	610.47	Calculated Property
η	0.0002252	Pa×s	637.37	Calculated Property

Similar Compounds

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

Sources

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

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