Chemical Properties of p-Heptylacetophenone (CAS 37593-03-6)

InChI

InChI=1S/C15H22O/c1-3-4-5-6-7-8-14-9-11-15(12-10-14)13(2)16/h9-12H,3-8H2,1-2H3

InChI Key

UQBRZOXCKKBKDU-UHFFFAOYSA-N

Formula

C15H22O

SMILES

CCCCCCCc1ccc(C(C)=O)cc1

Molecular Weight¹

218.33

CAS

37593-03-6

Other Names

• 4-n-Heptylacetophenone
• 4'-n-Heptylacetophenone
• Ethanone, 1-(4-heptylphenyl)-
• p-n-Heptylacetophenone
• 4'-Heptylacetophenone
• 1-(4-heptylphenyl)ethan-1-one

• 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	[269.91; 660.65]	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			-2.29940e+01
Coefficient B			1.26244e+00
Coefficient C			-7.37660e-04
Coefficient D			1.58860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	269.91	J/mol×K	273.00	Calculated Property
Cp,gas	338.34	J/mol×K	353.78	Calculated Property
Cp,gas	399.34	J/mol×K	434.56	Calculated Property
Cp,gas	453.43	J/mol×K	515.33	Calculated Property
Cp,gas	501.09	J/mol×K	596.11	Calculated Property
Cp,gas	542.83	J/mol×K	676.89	Calculated Property
Cp,gas	579.15	J/mol×K	757.67	Calculated Property
Cp,gas	610.56	J/mol×K	838.44	Calculated Property
Cp,gas	637.56	J/mol×K	919.22	Calculated Property
Cp,gas	660.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020914; 0.0002210]	Pa×s	[347.68; 579.88]	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			-1.17819e+01
Coefficient B			1.95119e+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.			347.68
Temperature range, max.			579.88
η	0.0020914	Pa×s	347.68	Calculated Property
η	0.0014193	Pa×s	373.48	Calculated Property
η	0.0010127	Pa×s	399.28	Calculated Property
η	0.0007527	Pa×s	425.08	Calculated Property
η	0.0005789	Pa×s	450.88	Calculated Property
η	0.0004580	Pa×s	476.68	Calculated Property
η	0.0003712	Pa×s	502.48	Calculated Property
η	0.0003071	Pa×s	528.28	Calculated Property
η	0.0002585	Pa×s	554.08	Calculated Property
η	0.0002210	Pa×s	579.88	Calculated Property

Similar Compounds

Find more compounds similar to p-Heptylacetophenone.

Sources

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

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