Chemical Properties of 1-NAPHTHYL BUTYRATE

InChI

InChI=1S/C14H14O2/c1-2-6-14(15)16-13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,2,6H2,1H3

InChI Key

XIVJNRXPRQKFRZ-UHFFFAOYSA-N

Formula

C14H14O2

SMILES

CCCC(=O)Oc1cccc2ccccc12

Molecular Weight¹

214.26

Other Names

• «alpha»-Naphthyl butyrate
• n-Butyric acid «alpha»-naphthyl ester
• Butanoic acid, 1-naphthalenyl ester
• «alpha»-Naphthyl-n-butyrate
• Butyric acid, 1-naphthyl ester

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[223.11; 537.36]	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			-3.54780e+01
Coefficient B			1.13692e+00
Coefficient C			-7.44080e-04
Coefficient D			1.80000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	223.11	J/mol×K	273.00	Calculated Property
Cp,gas	281.58	J/mol×K	353.78	Calculated Property
Cp,gas	332.84	J/mol×K	434.56	Calculated Property
Cp,gas	377.44	J/mol×K	515.33	Calculated Property
Cp,gas	415.97	J/mol×K	596.11	Calculated Property
Cp,gas	448.99	J/mol×K	676.89	Calculated Property
Cp,gas	477.07	J/mol×K	757.67	Calculated Property
Cp,gas	500.78	J/mol×K	838.44	Calculated Property
Cp,gas	520.69	J/mol×K	919.22	Calculated Property
Cp,gas	537.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016867; 0.0002629]	Pa×s	[361.51; 597.08]	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			-1.10958e+01
Coefficient B			1.70300e+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.			361.51
Temperature range, max.			597.08
η	0.0016867	Pa×s	361.51	Calculated Property
η	0.0012272	Pa×s	387.68	Calculated Property
η	0.0009295	Pa×s	413.86	Calculated Property
η	0.0007277	Pa×s	440.03	Calculated Property
η	0.0005856	Pa×s	466.21	Calculated Property
η	0.0004822	Pa×s	492.38	Calculated Property
η	0.0004050	Pa×s	518.55	Calculated Property
η	0.0003459	Pa×s	544.73	Calculated Property
η	0.0002997	Pa×s	570.90	Calculated Property
η	0.0002629	Pa×s	597.08	Calculated Property

Similar Compounds

Find more compounds similar to 1-NAPHTHYL BUTYRATE.

Sources

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

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