Chemical Properties of 2-Hydroxy-iso-butyrophenone (CAS 7473-98-5)

InChI

InChI=1S/C10H12O2/c1-10(2,12)9(11)8-6-4-3-5-7-8/h3-7,12H,1-2H3

InChI Key

XMLYCEVDHLAQEL-UHFFFAOYSA-N

Formula

C10H12O2

SMILES

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

Molecular Weight¹

164.20

CAS

7473-98-5

Other Names

• 1-Propanone, 2-hydroxy-2-methyl-1-phenyl-
• 1-Phenyl-2-hydroxy-2-methylpropan-1-one
• 2-Hydroxy-2-methylpropiophenone
• 2-Hydroxy-2-methyl-1-phenyl-1-propanone
• 2-Hydroxy-2-methyl-1-phenylpropan-1-one
• Darocure-173 (2-Hydroxy-2-methyl-1-phenyl-propanone)

• ω : Acentric Factor.
• 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_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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[172.33; 425.87]	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			-5.19300e+01
Coefficient B			1.00674e+00
Coefficient C			-7.34900e-04
Coefficient D			2.05960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.33	J/mol×K	273.00	Calculated Property
Cp,gas	221.37	J/mol×K	353.78	Calculated Property
Cp,gas	263.68	J/mol×K	434.56	Calculated Property
Cp,gas	299.90	J/mol×K	515.33	Calculated Property
Cp,gas	330.68	J/mol×K	596.11	Calculated Property
Cp,gas	356.68	J/mol×K	676.89	Calculated Property
Cp,gas	378.55	J/mol×K	757.67	Calculated Property
Cp,gas	396.94	J/mol×K	838.44	Calculated Property
Cp,gas	412.49	J/mol×K	919.22	Calculated Property
Cp,gas	425.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0065486; 0.0001142]	Pa×s	[342.05; 566.89]	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			-1.52369e+01
Coefficient B			3.49178e+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.			342.05
Temperature range, max.			566.89
η	0.0065486	Pa×s	342.05	Calculated Property
η	0.0032688	Pa×s	367.03	Calculated Property
η	0.0017827	Pa×s	392.01	Calculated Property
η	0.0010455	Pa×s	417.00	Calculated Property
η	0.0006513	Pa×s	441.98	Calculated Property
η	0.0004268	Pa×s	466.96	Calculated Property
η	0.0002919	Pa×s	491.94	Calculated Property
η	0.0002072	Pa×s	516.92	Calculated Property
η	0.0001517	Pa×s	541.91	Calculated Property
η	0.0001142	Pa×s	566.89	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxy-iso-butyrophenone.

Sources

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

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