Chemical Properties of 3-Buten-2-one, 4-phenyl- (CAS 122-57-6)

InChI

InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3

InChI Key

BWHOZHOGCMHOBV-UHFFFAOYSA-N

Formula

C10H10O

SMILES

CC(=O)C=Cc1ccccc1

Molecular Weight¹

146.19

CAS

122-57-6

Other Names

• Acetocinnamone
• Benzalacetone
• Benzylideneacetone
• Methyl «beta»-styryl ketone
• Methyl styryl ketone
• 2-Phenylvinyl methyl ketone
• 4-Phenyl-3-buten-2-one
• 4-Phenylbutenone
• 1-Buten-3-one-1-phenyl
• Benzalaceton
• Styryl methyl ketone
• 4-Phenylbut-3-en-2-one
• 1-Phenyl-1-buten-3-one
• 4-Phenyl-3-butene-2-one
• Ketone, methyl styryl
• Methyl 2-phenylvinyl ketone
• NSC 5605

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• Δ_cH°_solid : Standard solid 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°_solid : Solid 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.
• I : 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	-5282.30	kJ/mol	NIST
ΔcH°solid	-5262.20	kJ/mol	NIST
ΔfG°	97.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-48.10 ± 3.80	kJ/mol	NIST
ΔfH°solid	-102.00	kJ/mol	NIST
ΔfusH°	17.50	kJ/mol	Joback Calculated Property
ΔvapH°	46.83	kJ/mol	Joback Calculated Property
IE	[8.80; 8.80]	eV
IE	8.80	eV	NIST
IE	8.80	eV	NIST
IE	8.80	eV	NIST
IE	8.80 ± 0.10	eV	NIST
log10WS	-2.41		Crippen Calculated Property
logPoct/wat	2.289		Crippen Calculated Property
McVol	125.270	ml/mol	McGowan Calculated Property
Pc	3333.53	kPa	Joback Calculated Property
Inp	[1323.00; 1346.20]
Inp	1346.20		NIST
Inp	1337.00		NIST
Inp	1323.00		NIST
Inp	1337.00		NIST
I	[2065.00; 2105.00]
I	2095.00		NIST
I	2105.00		NIST
I	2103.00		NIST
I	2065.00		NIST
I	2095.00		NIST
Tboil	534.20	K	NIST
Tc	738.22	K	Joback Calculated Property
Tfus	314.00 ± 3.00	K	NIST
Vc	0.473	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[258.70; 326.13]	J/mol×K	[512.91; 738.22]
Cp,gas	258.70	J/mol×K	512.91	Joback Calculated Property
Cp,gas	272.10	J/mol×K	550.46	Joback Calculated Property
Cp,gas	284.57	J/mol×K	588.01	Joback Calculated Property
Cp,gas	296.15	J/mol×K	625.56	Joback Calculated Property
Cp,gas	306.90	J/mol×K	663.11	Joback Calculated Property
Cp,gas	316.88	J/mol×K	700.67	Joback Calculated Property
Cp,gas	326.13	J/mol×K	738.22	Joback Calculated Property
η	[0.0002186; 0.0028529]	Pa×s	[273.73; 512.91]
η	0.0028529	Pa×s	273.73	Joback Calculated Property
η	0.0014163	Pa×s	313.59	Joback Calculated Property
η	0.0008235	Pa×s	353.46	Joback Calculated Property
η	0.0005344	Pa×s	393.32	Joback Calculated Property
η	0.0003755	Pa×s	433.18	Joback Calculated Property
η	0.0002801	Pa×s	473.05	Joback Calculated Property
η	0.0002186	Pa×s	512.91	Joback Calculated Property
ΔvapH	58.50	kJ/mol	444.00	NIST

Similar Compounds

Find more compounds similar to 3-Buten-2-one, 4-phenyl-.

Sources

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

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