Chemical Properties of p-n-Butylacetophenone (CAS 37920-25-5)

InChI

InChI=1S/C12H16O/c1-3-4-5-11-6-8-12(9-7-11)10(2)13/h6-9H,3-5H2,1-2H3

InChI Key

MQESVSITPLILCO-UHFFFAOYSA-N

Formula

C12H16O

SMILES

CCCCc1ccc(C(C)=O)cc1

Molecular Weight¹

176.25

CAS

37920-25-5

Other Names

• 1-(4-butylphenyl)ethan-1-one
• Ethanone, 1-(4-butylphenyl)-
• p-Butylacetophenone

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[206.27; 505.87]	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			-2.02670e+01
Coefficient B			9.77440e-01
Coefficient C			-5.74460e-04
Coefficient D			1.23160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	206.27	J/mol×K	273.00	Calculated Property
Cp,gas	259.08	J/mol×K	353.78	Calculated Property
Cp,gas	306.11	J/mol×K	434.56	Calculated Property
Cp,gas	347.74	J/mol×K	515.33	Calculated Property
Cp,gas	384.35	J/mol×K	596.11	Calculated Property
Cp,gas	416.34	J/mol×K	676.89	Calculated Property
Cp,gas	444.10	J/mol×K	757.67	Calculated Property
Cp,gas	468.02	J/mol×K	838.44	Calculated Property
Cp,gas	488.48	J/mol×K	919.22	Calculated Property
Cp,gas	505.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022825; 0.0002488]	Pa×s	[313.87; 538.25]	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			-1.13990e+01
Coefficient B			1.66871e+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.			313.87
Temperature range, max.			538.25
η	0.0022825	Pa×s	313.87	Calculated Property
η	0.0015435	Pa×s	338.80	Calculated Property
η	0.0011013	Pa×s	363.73	Calculated Property
η	0.0008205	Pa×s	388.66	Calculated Property
η	0.0006334	Pa×s	413.59	Calculated Property
η	0.0005036	Pa×s	438.53	Calculated Property
η	0.0004104	Pa×s	463.46	Calculated Property
η	0.0003415	Pa×s	488.39	Calculated Property
η	0.0002892	Pa×s	513.32	Calculated Property
η	0.0002488	Pa×s	538.25	Calculated Property

Similar Compounds

Find more compounds similar to p-n-Butylacetophenone.

Sources

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

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