Chemical Properties of 1-Butanone, 3-methyl-1-phenyl- (CAS 582-62-7)

InChI

InChI=1S/C11H14O/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

InChI Key

HEOVGVNITGAUKL-UHFFFAOYSA-N

Formula

C11H14O

SMILES

CC(C)CC(=O)c1ccccc1

Molecular Weight¹

162.23

CAS

582-62-7

Other Names

• 3-Methyl-1-phenyl-1-butanone
• Isovalerophenone
• Isobutyl phenyl ketone
• 1-Phenyl-3-methyl-1-butanone

• 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).
• 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
ΔfG°	22.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-160.70 ± 2.30	kJ/mol	NIST
ΔfH°liquid	-220.20 ± 1.50	kJ/mol	NIST
ΔfusH°	16.36	kJ/mol	Joback Calculated Property
ΔvapH°	[59.50; 59.50]	kJ/mol
ΔvapH°	59.50 ± 1.70	kJ/mol	NIST
ΔvapH°	59.50	kJ/mol	NIST
log10WS	-3.15		Crippen Calculated Property
logPoct/wat	2.915		Crippen Calculated Property
McVol	143.660	ml/mol	McGowan Calculated Property
Pc	2853.57	kPa	Joback Calculated Property
Inp	1271.00		NIST
Tboil	509.70	K	NIST
Tc	747.39	K	Joback Calculated Property
Tfus	275.08	K	Joback Calculated Property
Vc	0.543	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[321.92; 399.97]	J/mol×K	[531.19; 747.39]
Cp,gas	321.92	J/mol×K	531.19	Joback Calculated Property
Cp,gas	337.13	J/mol×K	567.22	Joback Calculated Property
Cp,gas	351.41	J/mol×K	603.26	Joback Calculated Property
Cp,gas	364.80	J/mol×K	639.29	Joback Calculated Property
Cp,gas	377.33	J/mol×K	675.32	Joback Calculated Property
Cp,gas	389.04	J/mol×K	711.36	Joback Calculated Property
Cp,gas	399.97	J/mol×K	747.39	Joback Calculated Property
η	[0.0002296; 0.0042401]	Pa×s	[275.08; 531.19]
η	0.0042401	Pa×s	275.08	Joback Calculated Property
η	0.0018817	Pa×s	317.77	Joback Calculated Property
η	0.0010123	Pa×s	360.45	Joback Calculated Property
η	0.0006210	Pa×s	403.14	Joback Calculated Property
η	0.0004183	Pa×s	445.82	Joback Calculated Property
η	0.0003019	Pa×s	488.51	Joback Calculated Property
η	0.0002296	Pa×s	531.19	Joback Calculated Property
ΔvapH	55.70	kJ/mol	416.00	NIST

Similar Compounds

Find more compounds similar to 1-Butanone, 3-methyl-1-phenyl-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.