Chemical Properties of 4-tert-Butyl-benzophenone (CAS 22679-54-5)

InChI

InChI=1S/C17H18O/c1-17(2,3)15-11-9-14(10-12-15)16(18)13-7-5-4-6-8-13/h4-12H,1-3H3

InChI Key

DFYJCXSOGSYMAJ-UHFFFAOYSA-N

Formula

C17H18O

SMILES

CC(C)(C)c1ccc(C(=O)c2ccccc2)cc1

Molecular Weight¹

238.32

CAS

22679-54-5

Other Names

• 4-(t-Butyl)benzophenone
• Methanone, [4-(1,1-dimethylethyl)phenyl]phenyl-

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (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_fH°_liquid : Liquid phase 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	[253.62; 646.77]	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			-8.31900e+01
Coefficient B			1.49936e+00
Coefficient C			-1.04946e-03
Coefficient D			2.80060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	253.62	J/mol×K	273.00	Calculated Property
Cp,gas	328.30	J/mol×K	353.78	Calculated Property
Cp,gas	393.17	J/mol×K	434.56	Calculated Property
Cp,gas	449.10	J/mol×K	515.33	Calculated Property
Cp,gas	497.00	J/mol×K	596.11	Calculated Property
Cp,gas	537.73	J/mol×K	676.89	Calculated Property
Cp,gas	572.18	J/mol×K	757.67	Calculated Property
Cp,gas	601.25	J/mol×K	838.44	Calculated Property
Cp,gas	625.82	J/mol×K	919.22	Calculated Property
Cp,gas	646.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0082029; 0.0001424]	Pa×s	[313.15; 660.66]	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			-1.25103e+01
Coefficient B			2.41347e+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.			313.15
Temperature range, max.			660.66
η	0.0082029	Pa×s	313.15	Calculated Property
η	0.0035201	Pa×s	351.76	Calculated Property
η	0.0017858	Pa×s	390.37	Calculated Property
η	0.0010237	Pa×s	428.99	Calculated Property
η	0.0006433	Pa×s	467.60	Calculated Property
η	0.0004339	Pa×s	506.21	Calculated Property
η	0.0003095	Pa×s	544.82	Calculated Property
η	0.0002309	Pa×s	583.44	Calculated Property
η	0.0001786	Pa×s	622.05	Calculated Property
η	0.0001424	Pa×s	660.66	Calculated Property

Similar Compounds

Find more compounds similar to 4-tert-Butyl-benzophenone.

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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