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

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

• 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_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	[204.81; 507.34]	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			-4.47400e+01
Coefficient B			1.10328e+00
Coefficient C			-7.46260e-04
Coefficient D			1.95060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	204.81	J/mol×K	273.00	Calculated Property
Cp,gas	260.81	J/mol×K	353.78	Calculated Property
Cp,gas	309.78	J/mol×K	434.56	Calculated Property
Cp,gas	352.33	J/mol×K	515.33	Calculated Property
Cp,gas	389.07	J/mol×K	596.11	Calculated Property
Cp,gas	420.63	J/mol×K	676.89	Calculated Property
Cp,gas	447.62	J/mol×K	757.67	Calculated Property
Cp,gas	470.66	J/mol×K	838.44	Calculated Property
Cp,gas	490.36	J/mol×K	919.22	Calculated Property
Cp,gas	507.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046289; 0.0002179]	Pa×s	[291.15; 545.24]	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			-1.19330e+01
Coefficient B			1.90925e+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.			291.15
Temperature range, max.			545.24
η	0.0046289	Pa×s	291.15	Calculated Property
η	0.0025926	Pa×s	319.38	Calculated Property
η	0.0015954	Pa×s	347.61	Calculated Property
η	0.0010561	Pa×s	375.85	Calculated Property
η	0.0007406	Pa×s	404.08	Calculated Property
η	0.0005439	Pa×s	432.31	Calculated Property
η	0.0004149	Pa×s	460.54	Calculated Property
η	0.0003266	Pa×s	488.77	Calculated Property
η	0.0002638	Pa×s	517.01	Calculated Property
η	0.0002179	Pa×s	545.24	Calculated Property

Similar Compounds

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

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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