Chemical Properties of Benzyl methyl ketone (CAS 103-79-7)

InChI

InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChI Key

QCCDLTOVEPVEJK-UHFFFAOYSA-N

Formula

C9H10O

SMILES

CC(=O)Cc1ccccc1

Molecular Weight¹

134.18

CAS

103-79-7

Other Names

• .alpha.-phenylacetone
• 1-Phenylpropan-2-one
• 1-phenyl-2-propanone
• 1-phenylacetone
• 2-propanone, 1-phenyl-
• 3-phenyl-2-propanone
• Fenproporex-M (desamino-oxo-)
• NSC 9827
• P2P
• acetone, phenyl-
• benzylmethylketon
• methyl benzyl ketone
• phenyl-2-propanone
• phenylacetone
• phenylmethyl methyl ketone
• propanone, phenyl-
• «alpha»-Phenylacetone

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• ρ_l : Liquid Density (kg/m³).
• 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
PAff	842.60	kJ/mol	NIST
BasG	810.80	kJ/mol	NIST
ΔcH°liquid	[-4818.80; -4808.20]	kJ/mol
ΔcH°liquid	-4818.80 ± 1.70	kJ/mol	NIST
ΔcH°liquid	-4818.50 ± 1.70	kJ/mol	NIST
ΔcH°liquid	-4808.20 ± 1.20	kJ/mol	NIST
ΔcH°liquid	-4818.00 ± 3.00	kJ/mol	NIST
ΔfG°	8.39	kJ/mol	Joback Calculated Property
ΔfH°gas	[-94.64; -94.64]	kJ/mol
ΔfH°gas	-94.64	kJ/mol	NIST
ΔfH°gas	-94.64	kJ/mol	NIST
ΔfH°liquid	[-162.50; -151.90]	kJ/mol
ΔfH°liquid	-151.90 ± 1.70	kJ/mol	NIST
ΔfH°liquid	-152.30	kJ/mol	NIST
ΔfH°liquid	-162.50 ± 1.30	kJ/mol	NIST
ΔfusH°	14.71	kJ/mol	Joback Calculated Property
ΔvapH°	44.65	kJ/mol	Joback Calculated Property
IE	[8.70; 9.14]	eV
IE	8.70	eV	NIST
IE	9.14 ± 0.09	eV	NIST
IE	8.98	eV	NIST
log10WS	-1.97		Crippen Calculated Property
logPoct/wat	1.818		Crippen Calculated Property
McVol	115.480	ml/mol	McGowan Calculated Property
Pc	3509.58	kPa	Joback Calculated Property
Inp	[1090.00; 1124.00]
Inp	1098.00		NIST
Inp	1110.30		NIST
Inp	1124.00		NIST
Inp	1124.00		NIST
Inp	1116.00		NIST
Inp	1090.00		NIST
Inp	1091.00		NIST
Inp	1091.00		NIST
Inp	1093.00		NIST
Inp	1110.00		NIST
Inp	1101.00		NIST
Inp	1101.00		NIST
Inp	1110.00		NIST
Inp	1110.00		NIST
Inp	1110.30		NIST
I	[1704.00; 1710.00]
I	1710.00		NIST
I	1704.00		NIST
I	1710.00		NIST
I	1710.00		NIST
I	1710.00		NIST
Tboil	489.70	K	NIST
Tc	704.23	K	Joback Calculated Property
Tfus	257.80 ± 0.40	K	NIST
Vc	0.438	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.47; 299.72]	J/mol×K	[485.87; 704.23]
Cp,gas	233.47	J/mol×K	485.87	Joback Calculated Property
Cp,gas	246.41	J/mol×K	522.26	Joback Calculated Property
Cp,gas	258.54	J/mol×K	558.66	Joback Calculated Property
Cp,gas	269.91	J/mol×K	595.05	Joback Calculated Property
Cp,gas	280.54	J/mol×K	631.45	Joback Calculated Property
Cp,gas	290.46	J/mol×K	667.84	Joback Calculated Property
Cp,gas	299.72	J/mol×K	704.23	Joback Calculated Property
η	[0.0002719; 0.0030402]	Pa×s	[267.54; 485.87]
η	0.0030402	Pa×s	267.54	Joback Calculated Property
η	0.0015978	Pa×s	303.93	Joback Calculated Property
η	0.0009636	Pa×s	340.32	Joback Calculated Property
η	0.0006407	Pa×s	376.71	Joback Calculated Property
η	0.0004578	Pa×s	413.09	Joback Calculated Property
η	0.0003454	Pa×s	449.48	Joback Calculated Property
η	0.0002719	Pa×s	485.87	Joback Calculated Property
ρl	999.02	kg/m3	298.15	Thermod...

Similar Compounds

Find more compounds similar to Benzyl methyl ketone.

Mixtures

• Benzyl methyl ketone + Decane
• Benzyl methyl ketone + Dodecane
• Benzyl methyl ketone + Tetradecane
• Benzyl methyl ketone + Hexadecane
• Benzyl methyl ketone + Pentane, 2,2,4-trimethyl-

Sources

• Crippen Method
• Crippen Method
• Thermodynamics of aromatic polar compound (alkanone, alkanal or alkanoate) + hydrocarbon mixtures
• Joback Method
• McGowan Method
• NIST Webbook

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