Chemical Properties of 1-naphthaleneacetic acid, butyl ester (CAS 2876-75-7)

InChI

InChI=1S/C16H18O2/c1-2-3-11-18-16(17)12-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,2-3,11-12H2,1H3

InChI Key

ONFNCARYSQWBPI-UHFFFAOYSA-N

Formula

C16H18O2

SMILES

CCCCOC(=O)Cc1cccc2ccccc12

Molecular Weight¹

242.31

CAS

2876-75-7

• 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	[265.54; 640.54]	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			-3.72960e+01
Coefficient B			1.32692e+00
Coefficient C			-8.52880e-04
Coefficient D			2.03800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	265.54	J/mol×K	273.00	Calculated Property
Cp,gas	334.42	J/mol×K	353.78	Calculated Property
Cp,gas	394.99	J/mol×K	434.56	Calculated Property
Cp,gas	447.90	J/mol×K	515.33	Calculated Property
Cp,gas	493.80	J/mol×K	596.11	Calculated Property
Cp,gas	533.32	J/mol×K	676.89	Calculated Property
Cp,gas	567.11	J/mol×K	757.67	Calculated Property
Cp,gas	595.81	J/mol×K	838.44	Calculated Property
Cp,gas	620.08	J/mol×K	919.22	Calculated Property
Cp,gas	640.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015867; 0.0002392]	Pa×s	[384.05; 623.69]	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			-1.13707e+01
Coefficient B			1.89132e+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.			384.05
Temperature range, max.			623.69
η	0.0015867	Pa×s	384.05	Calculated Property
η	0.0011530	Pa×s	410.68	Calculated Property
η	0.0008711	Pa×s	437.30	Calculated Property
η	0.0006796	Pa×s	463.93	Calculated Property
η	0.0005447	Pa×s	490.56	Calculated Property
η	0.0004466	Pa×s	517.18	Calculated Property
η	0.0003734	Pa×s	543.81	Calculated Property
η	0.0003175	Pa×s	570.43	Calculated Property
η	0.0002738	Pa×s	597.06	Calculated Property
η	0.0002392	Pa×s	623.69	Calculated Property

Similar Compounds

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

Sources

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

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