Chemical Properties of 2,4-Pentanedione, 3-phenyl- (CAS 5910-25-8)

InChI

InChI=1S/C11H12O2/c1-8(12)11(9(2)13)10-6-4-3-5-7-10/h3-7,11H,1-2H3

InChI Key

YIWTXSVNRCWBAC-UHFFFAOYSA-N

Formula

C11H12O2

SMILES

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

Molecular Weight¹

176.21

CAS

5910-25-8

Other Names

• 3-Phenyl-2,4-pentanedione
• 3-Phenylacetylacetone

• 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	[183.11; 446.88]	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			-2.79800e+01
Coefficient B			9.19840e-01
Coefficient C			-5.71600e-04
Coefficient D			1.26620e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.11	J/mol×K	273.00	Calculated Property
Cp,gas	231.50	J/mol×K	353.78	Calculated Property
Cp,gas	274.19	J/mol×K	434.56	Calculated Property
Cp,gas	311.57	J/mol×K	515.33	Calculated Property
Cp,gas	344.05	J/mol×K	596.11	Calculated Property
Cp,gas	372.02	J/mol×K	676.89	Calculated Property
Cp,gas	395.89	J/mol×K	757.67	Calculated Property
Cp,gas	416.06	J/mol×K	838.44	Calculated Property
Cp,gas	432.92	J/mol×K	919.22	Calculated Property
Cp,gas	446.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033356; 0.0002720]	Pa×s	[325.01; 566.80]	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			-1.15793e+01
Coefficient B			1.90982e+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.			325.01
Temperature range, max.			566.80
η	0.0033356	Pa×s	325.01	Calculated Property
η	0.0021298	Pa×s	351.88	Calculated Property
η	0.0014492	Pa×s	378.74	Calculated Property
η	0.0010377	Pa×s	405.61	Calculated Property
η	0.0007746	Pa×s	432.47	Calculated Property
η	0.0005982	Pa×s	459.34	Calculated Property
η	0.0004755	Pa×s	486.20	Calculated Property
η	0.0003871	Pa×s	513.07	Calculated Property
η	0.0003216	Pa×s	539.93	Calculated Property
η	0.0002720	Pa×s	566.80	Calculated Property

Similar Compounds

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

Sources

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

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