Chemical Properties of 4'-Butoxyacetophenone (CAS 5736-89-0)

InChI

InChI=1S/C12H16O2/c1-3-4-9-14-12-7-5-11(6-8-12)10(2)13/h5-8H,3-4,9H2,1-2H3

InChI Key

YYLCJWIQUFHYMY-UHFFFAOYSA-N

Formula

C12H16O2

SMILES

CCCCOc1ccc(C(C)=O)cc1

Molecular Weight¹

192.25

CAS

5736-89-0

Other Names

• 4-n-Butoxyacetophenone
• p-Butoxyacetophenone
• Ethanone, 1-(4-butoxyphenyl)-
• Acetophenone, 4'-butoxy-
• 1-(4-butoxyphenyl)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	[221.67; 524.37]	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			5.23300e+00
Coefficient B			9.14240e-01
Coefficient C			-4.63460e-04
Coefficient D			6.83600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	221.67	J/mol×K	273.00	Calculated Property
Cp,gas	273.69	J/mol×K	353.78	Calculated Property
Cp,gas	320.61	J/mol×K	434.56	Calculated Property
Cp,gas	362.65	J/mol×K	515.33	Calculated Property
Cp,gas	400.01	J/mol×K	596.11	Calculated Property
Cp,gas	432.93	J/mol×K	676.89	Calculated Property
Cp,gas	461.60	J/mol×K	757.67	Calculated Property
Cp,gas	486.26	J/mol×K	838.44	Calculated Property
Cp,gas	507.11	J/mol×K	919.22	Calculated Property
Cp,gas	524.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017122; 0.0002125]	Pa×s	[336.10; 552.42]	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			-1.16982e+01
Coefficient B			1.79080e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			336.10
Temperature range, max.			552.42
η	0.0017122	Pa×s	336.10	Calculated Property
η	0.0011998	Pa×s	360.14	Calculated Property
η	0.0008790	Pa×s	384.17	Calculated Property
η	0.0006680	Pa×s	408.21	Calculated Property
η	0.0005234	Pa×s	432.24	Calculated Property
η	0.0004208	Pa×s	456.28	Calculated Property
η	0.0003458	Pa×s	480.31	Calculated Property
η	0.0002895	Pa×s	504.35	Calculated Property
η	0.0002463	Pa×s	528.39	Calculated Property
η	0.0002125	Pa×s	552.42	Calculated Property

Similar Compounds

Find more compounds similar to 4'-Butoxyacetophenone.

Sources

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

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