Chemical Properties of 1-Propanone, 2,2-dimethyl-1-(4-phenoxyphenyl)- (CAS 55814-54-5)

InChI

InChI=1S/C17H18O2/c1-17(2,3)16(18)13-9-11-15(12-10-13)19-14-7-5-4-6-8-14/h4-12H,1-3H3

InChI Key

ITEMAFJPIQQQMO-UHFFFAOYSA-N

Formula

C17H18O2

SMILES

CC(C)(C)C(=O)c1ccc(Oc2ccccc2)cc1

Molecular Weight¹

254.32

CAS

55814-54-5

Other Names

• 4'-Phenoxypivalophenone
• tert-Butyl 4-phenoxyphenyl ketone

• 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	[269.02; 665.27]	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			-5.76900e+01
Coefficient B			1.43616e+00
Coefficient C			-9.38460e-04
Coefficient D			2.25260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	269.02	J/mol×K	273.00	Calculated Property
Cp,gas	342.91	J/mol×K	353.78	Calculated Property
Cp,gas	407.67	J/mol×K	434.56	Calculated Property
Cp,gas	464.01	J/mol×K	515.33	Calculated Property
Cp,gas	512.66	J/mol×K	596.11	Calculated Property
Cp,gas	554.31	J/mol×K	676.89	Calculated Property
Cp,gas	589.69	J/mol×K	757.67	Calculated Property
Cp,gas	619.50	J/mol×K	838.44	Calculated Property
Cp,gas	644.45	J/mol×K	919.22	Calculated Property
Cp,gas	665.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010996; 0.0001154]	Pa×s	[421.29; 673.61]	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			-1.28314e+01
Coefficient B			2.53556e+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.			421.29
Temperature range, max.			673.61
η	0.0010996	Pa×s	421.29	Calculated Property
η	0.0007553	Pa×s	449.33	Calculated Property
η	0.0005423	Pa×s	477.36	Calculated Property
η	0.0004039	Pa×s	505.40	Calculated Property
η	0.0003103	Pa×s	533.43	Calculated Property
η	0.0002447	Pa×s	561.47	Calculated Property
η	0.0001974	Pa×s	589.51	Calculated Property
η	0.0001624	Pa×s	617.54	Calculated Property
η	0.0001359	Pa×s	645.58	Calculated Property
η	0.0001154	Pa×s	673.61	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propanone, 2,2-dimethyl-1-(4-phenoxyphenyl)-.

Sources

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

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