Chemical Properties of 4'-HEXYLACETOPHENONE

InChI

InChI=1S/C14H20O/c1-3-4-5-6-7-13-8-10-14(11-9-13)12(2)15/h8-11H,3-7H2,1-2H3

InChI Key

WWBVHJKFJZBRSO-UHFFFAOYSA-N

Formula

C14H20O

SMILES

CCCCCCc1ccc(C(C)=O)cc1

Molecular Weight¹

204.31

Other Names

• 4'-n-Hexylacetophenone
• 4-n-Hexylacetophenone
• Ethanone, 1-(4-hexylphenyl)-

• 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_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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[248.69; 609.05]	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			-2.20850e+01
Coefficient B			1.16744e+00
Coefficient C			-6.83260e-04
Coefficient D			1.46960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	248.69	J/mol×K	273.00	Calculated Property
Cp,gas	311.92	J/mol×K	353.78	Calculated Property
Cp,gas	368.27	J/mol×K	434.56	Calculated Property
Cp,gas	418.20	J/mol×K	515.33	Calculated Property
Cp,gas	462.17	J/mol×K	596.11	Calculated Property
Cp,gas	500.66	J/mol×K	676.89	Calculated Property
Cp,gas	534.13	J/mol×K	757.67	Calculated Property
Cp,gas	563.05	J/mol×K	838.44	Calculated Property
Cp,gas	587.86	J/mol×K	919.22	Calculated Property
Cp,gas	609.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021783; 0.0002323]	Pa×s	[336.41; 565.84]	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			-1.16493e+01
Coefficient B			1.85703e+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.			336.41
Temperature range, max.			565.84
η	0.0021783	Pa×s	336.41	Calculated Property
η	0.0014765	Pa×s	361.90	Calculated Property
η	0.0010534	Pa×s	387.40	Calculated Property
η	0.0007835	Pa×s	412.89	Calculated Property
η	0.0006032	Pa×s	438.38	Calculated Property
η	0.0004779	Pa×s	463.87	Calculated Property
η	0.0003880	Pa×s	489.37	Calculated Property
η	0.0003215	Pa×s	514.86	Calculated Property
η	0.0002712	Pa×s	540.35	Calculated Property
η	0.0002323	Pa×s	565.84	Calculated Property

Similar Compounds

Find more compounds similar to 4'-HEXYLACETOPHENONE.

Sources

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

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