Chemical Properties of p-Pentylacetophenone (CAS 37593-02-5)

InChI

InChI=1S/C13H18O/c1-3-4-5-6-12-7-9-13(10-8-12)11(2)14/h7-10H,3-6H2,1-2H3

InChI Key

KBKGPMDADJLBEM-UHFFFAOYSA-N

Formula

C13H18O

SMILES

CCCCCc1ccc(C(C)=O)cc1

Molecular Weight¹

190.28

CAS

37593-02-5

Other Names

• p-n-Pentylacetophenone
• Acetophenone, 4'-pentyl-
• Ethanone, 1-(4-pentylphenyl)-
• 4'-Pentylacetophenone

• 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	[227.48; 557.46]	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			-2.11760e+01
Coefficient B			1.07244e+00
Coefficient C			-6.28860e-04
Coefficient D			1.35060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	227.48	J/mol×K	273.00	Calculated Property
Cp,gas	285.50	J/mol×K	353.78	Calculated Property
Cp,gas	337.19	J/mol×K	434.56	Calculated Property
Cp,gas	382.97	J/mol×K	515.33	Calculated Property
Cp,gas	423.26	J/mol×K	596.11	Calculated Property
Cp,gas	458.50	J/mol×K	676.89	Calculated Property
Cp,gas	489.12	J/mol×K	757.67	Calculated Property
Cp,gas	515.53	J/mol×K	838.44	Calculated Property
Cp,gas	538.17	J/mol×K	919.22	Calculated Property
Cp,gas	557.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022438; 0.0002417]	Pa×s	[325.14; 551.98]	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			-1.15215e+01
Coefficient B			1.76287e+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.			325.14
Temperature range, max.			551.98
η	0.0022438	Pa×s	325.14	Calculated Property
η	0.0015191	Pa×s	350.34	Calculated Property
η	0.0010837	Pa×s	375.55	Calculated Property
η	0.0008067	Pa×s	400.75	Calculated Property
η	0.0006218	Pa×s	425.96	Calculated Property
η	0.0004935	Pa×s	451.16	Calculated Property
η	0.0004013	Pa×s	476.36	Calculated Property
η	0.0003332	Pa×s	501.57	Calculated Property
η	0.0002816	Pa×s	526.77	Calculated Property
η	0.0002417	Pa×s	551.98	Calculated Property

Similar Compounds

Find more compounds similar to p-Pentylacetophenone.

Sources

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

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