Chemical Properties of 4-Acetoxyacetophenone (CAS 13031-43-1)

InChI

InChI=1S/C10H10O3/c1-7(11)9-3-5-10(6-4-9)13-8(2)12/h3-6H,1-2H3

InChI Key

SMIOEQSLJNNKQF-UHFFFAOYSA-N

Formula

C10H10O3

SMILES

CC(=O)Oc1ccc(C(C)=O)cc1

Molecular Weight¹

178.18

CAS

13031-43-1

Other Names

• 4-CH3COO-C6H4-COCH3
• 4-acetylphenyl acetate
• Ethanone, 1-[4-(acetyloxy)phenyl]-
• p-acetoxyacetophenone
• p-acetylphenyl acetate
• para-acetoxyacetophenone

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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	[180.18; 410.80]	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			6.96000e+00
Coefficient B			7.32640e-01
Coefficient C			-3.71060e-04
Coefficient D			4.22600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.18	J/mol×K	273.00	Calculated Property
Cp,gas	221.58	J/mol×K	353.78	Calculated Property
Cp,gas	258.73	J/mol×K	434.56	Calculated Property
Cp,gas	291.76	J/mol×K	515.33	Calculated Property
Cp,gas	320.79	J/mol×K	596.11	Calculated Property
Cp,gas	345.97	J/mol×K	676.89	Calculated Property
Cp,gas	367.43	J/mol×K	757.67	Calculated Property
Cp,gas	385.30	J/mol×K	838.44	Calculated Property
Cp,gas	399.71	J/mol×K	919.22	Calculated Property
Cp,gas	410.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025112; 0.0002288]	Pa×s	[324.10; 554.19]	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			-1.17572e+01
Coefficient B			1.87011e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			324.10
Temperature range, max.			554.19
η	0.0025112	Pa×s	324.10	Calculated Property
η	0.0016468	Pa×s	349.67	Calculated Property
η	0.0011439	Pa×s	375.23	Calculated Property
η	0.0008324	Pa×s	400.80	Calculated Property
η	0.0006292	Pa×s	426.36	Calculated Property
η	0.0004910	Pa×s	451.93	Calculated Property
η	0.0003934	Pa×s	477.50	Calculated Property
η	0.0003224	Pa×s	503.06	Calculated Property
η	0.0002693	Pa×s	528.63	Calculated Property
η	0.0002288	Pa×s	554.19	Calculated Property

Similar Compounds

Find more compounds similar to 4-Acetoxyacetophenone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapour pressures and phase transition properties of four substituted acetophenones
• Joback Method
• McGowan Method
• NIST Webbook

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