Chemical Properties of 2-Propanone, 1-phenoxy- (CAS 621-87-4)

InChI

InChI=1S/C9H10O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChI Key

QWAVNXZAQASOML-UHFFFAOYSA-N

Formula

C9H10O2

SMILES

CC(=O)COc1ccccc1

Molecular Weight¹

150.17

CAS

621-87-4

Other Names

• Phenoxyacetone
• Phenoxymethyl methyl ketone
• 1-Phenoxy-2-propanone
• 1-Phenoxyacetone
• Phenoxy-2-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_p : 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	[155.48; 372.64]	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			-6.33900e+00
Coefficient B			6.88720e-01
Coefficient C			-3.67300e-04
Coefficient D			5.75600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	155.48	J/mol×K	273.00	Calculated Property
Cp,gas	193.89	J/mol×K	353.78	Calculated Property
Cp,gas	228.31	J/mol×K	434.56	Calculated Property
Cp,gas	258.92	J/mol×K	515.33	Calculated Property
Cp,gas	285.89	J/mol×K	596.11	Calculated Property
Cp,gas	309.41	J/mol×K	676.89	Calculated Property
Cp,gas	329.66	J/mol×K	757.67	Calculated Property
Cp,gas	346.83	J/mol×K	838.44	Calculated Property
Cp,gas	361.10	J/mol×K	919.22	Calculated Property
Cp,gas	372.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023343; 0.0002322]	Pa×s	[289.77; 507.32]	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			-1.14422e+01
Coefficient B			1.55958e+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.			289.77
Temperature range, max.			507.32
η	0.0023343	Pa×s	289.77	Calculated Property
η	0.0015423	Pa×s	313.94	Calculated Property
η	0.0010813	Pa×s	338.11	Calculated Property
η	0.0007948	Pa×s	362.29	Calculated Property
η	0.0006072	Pa×s	386.46	Calculated Property
η	0.0004788	Pa×s	410.63	Calculated Property
η	0.0003877	Pa×s	434.80	Calculated Property
η	0.0003209	Pa×s	458.98	Calculated Property
η	0.0002708	Pa×s	483.15	Calculated Property
η	0.0002322	Pa×s	507.32	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanone, 1-phenoxy-.

Sources

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

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