Chemical Properties of p-tert-Butylpivalophenone (CAS 22583-66-0)

InChI

InChI=1S/C15H22O/c1-14(2,3)12-9-7-11(8-10-12)13(16)15(4,5)6/h7-10H,1-6H3

InChI Key

ZISXBXYWRHTLEN-UHFFFAOYSA-N

Formula

C15H22O

SMILES

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

Molecular Weight¹

218.33

CAS

22583-66-0

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[266.99; 663.58]	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			-7.19400e+01
Coefficient B			1.51412e+00
Coefficient C			-1.08126e-03
Coefficient D			3.02660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	266.99	J/mol×K	273.00	Calculated Property
Cp,gas	341.79	J/mol×K	353.78	Calculated Property
Cp,gas	406.68	J/mol×K	434.56	Calculated Property
Cp,gas	462.61	J/mol×K	515.33	Calculated Property
Cp,gas	510.53	J/mol×K	596.11	Calculated Property
Cp,gas	551.41	J/mol×K	676.89	Calculated Property
Cp,gas	586.19	J/mol×K	757.67	Calculated Property
Cp,gas	615.84	J/mol×K	838.44	Calculated Property
Cp,gas	641.32	J/mol×K	919.22	Calculated Property
Cp,gas	663.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026051; 0.0001600]	Pa×s	[352.52; 591.84]	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			-1.28499e+01
Coefficient B			2.43227e+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.			352.52
Temperature range, max.			591.84
η	0.0026051	Pa×s	352.52	Calculated Property
η	0.0016057	Pa×s	379.11	Calculated Property
η	0.0010545	Pa×s	405.70	Calculated Property
η	0.0007293	Pa×s	432.29	Calculated Property
η	0.0005264	Pa×s	458.88	Calculated Property
η	0.0003937	Pa×s	485.47	Calculated Property
η	0.0003035	Pa×s	512.06	Calculated Property
η	0.0002401	Pa×s	538.65	Calculated Property
η	0.0001941	Pa×s	565.24	Calculated Property
η	0.0001600	Pa×s	591.84	Calculated Property

Similar Compounds

Find more compounds similar to p-tert-Butylpivalophenone.

Sources

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

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