Chemical Properties of Phenyl tert-butyl ketone (CAS 938-16-9)

InChI

InChI=1S/C11H14O/c1-11(2,3)10(12)9-7-5-4-6-8-9/h4-8H,1-3H3

InChI Key

OECPUBRNDKXFDX-UHFFFAOYSA-N

Formula

C11H14O

SMILES

CC(C)(C)C(=O)c1ccccc1

Molecular Weight¹

162.23

CAS

938-16-9

Other Names

• 1-Propanone, 2,2-dimethyl-1-phenyl-
• Pivalophenone
• «alpha»,«alpha»-Dimethylpropiophenone
• tert-Butyl Phenyl ketone
• 2,2-Dimethylpropiophenone
• 2,2-Dimethyl-1-phenyl-1-propanone

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔcH°liquid	-6120.70 ± 2.30	kJ/mol	NIST
ΔfG°	28.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-155.17	kJ/mol	Joback Calculated Property
ΔfH°liquid	-208.80 ± 2.50	kJ/mol	NIST
ΔfusH°	12.47	kJ/mol	Joback Calculated Property
ΔvapH°	47.81	kJ/mol	Joback Calculated Property
IE	[8.70; 9.04]	eV
IE	8.70	eV	NIST
IE	9.04 ± 0.04	eV	NIST
IE	9.02	eV	NIST
IE	8.98	eV	NIST
log10WS	-3.15		Crippen Calculated Property
logPoct/wat	2.915		Crippen Calculated Property
McVol	143.660	ml/mol	McGowan Calculated Property
Pc	2887.40	kPa	Joback Calculated Property
Inp	1233.00		NIST
Tboil	493.20	K	NIST
Tc	753.70	K	Joback Calculated Property
Tfus	292.50	K	Joback Calculated Property
Vc	0.538	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[324.88; 404.62]	J/mol×K	[528.40; 753.70]
Cp,gas	324.88	J/mol×K	528.40	Joback Calculated Property
Cp,gas	340.81	J/mol×K	565.95	Joback Calculated Property
Cp,gas	355.60	J/mol×K	603.50	Joback Calculated Property
Cp,gas	369.30	J/mol×K	641.05	Joback Calculated Property
Cp,gas	382.00	J/mol×K	678.60	Joback Calculated Property
Cp,gas	393.75	J/mol×K	716.15	Joback Calculated Property
Cp,gas	404.62	J/mol×K	753.70	Joback Calculated Property
η	[0.0002297; 0.0039648]	Pa×s	[292.50; 528.40]
η	0.0039648	Pa×s	292.50	Joback Calculated Property
η	0.0018616	Pa×s	331.82	Joback Calculated Property
η	0.0010259	Pa×s	371.13	Joback Calculated Property
η	0.0006337	Pa×s	410.45	Joback Calculated Property
η	0.0004259	Pa×s	449.77	Joback Calculated Property
η	0.0003051	Pa×s	489.08	Joback Calculated Property
η	0.0002297	Pa×s	528.40	Joback Calculated Property
ΔvapH	55.50	kJ/mol	411.50	NIST

Similar Compounds

Find more compounds similar to Phenyl tert-butyl ketone.

Sources

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

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