Chemical Properties of Ethanone, 1-[4-(1,1-dimethylethyl)phenyl]- (CAS 943-27-1)

InChI

InChI=1S/C12H16O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-8H,1-4H3

InChI Key

UYFJYGWNYQCHOB-UHFFFAOYSA-N

Formula

C12H16O

SMILES

CC(=O)c1ccc(C(C)(C)C)cc1

Molecular Weight¹

176.25

CAS

943-27-1

Other Names

• Acetophenone, 4'-tert-butyl-
• p-tert-Butylacetophenone
• 4-tert-Butylacetophenone
• 4'-tert-Butylacetophenone
• 4'-t-Butylacetophenone
• 1-(4-Tert-butylphenyl)ethanone

• 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_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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[371.63; 453.96]	J/mol×K	[556.26; 778.63]
Cp,gas	371.63	J/mol×K	556.26	Joback Calculated Property
Cp,gas	387.90	J/mol×K	593.32	Joback Calculated Property
Cp,gas	403.06	J/mol×K	630.38	Joback Calculated Property
Cp,gas	417.19	J/mol×K	667.45	Joback Calculated Property
Cp,gas	430.34	J/mol×K	704.51	Joback Calculated Property
Cp,gas	442.58	J/mol×K	741.57	Joback Calculated Property
Cp,gas	453.96	J/mol×K	778.63	Joback Calculated Property
η	[0.0002033; 0.0027486]	Pa×s	[316.29; 556.26]
η	0.0027486	Pa×s	316.29	Joback Calculated Property
η	0.0013958	Pa×s	356.29	Joback Calculated Property
η	0.0008127	Pa×s	396.28	Joback Calculated Property
η	0.0005225	Pa×s	436.27	Joback Calculated Property
η	0.0003618	Pa×s	476.27	Joback Calculated Property
η	0.0002652	Pa×s	516.26	Joback Calculated Property
η	0.0002033	Pa×s	556.26	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Ethanone, 1-[4-(1,1-dimethylethyl)phenyl]-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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