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

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[339.88; 409.22]	J/mol×K	[585.06; 809.43]
Cp,gas	339.88	J/mol×K	585.06	Joback Calculated Property
Cp,gas	353.65	J/mol×K	622.46	Joback Calculated Property
Cp,gas	366.48	J/mol×K	659.85	Joback Calculated Property
Cp,gas	378.41	J/mol×K	697.25	Joback Calculated Property
Cp,gas	389.48	J/mol×K	734.64	Joback Calculated Property
Cp,gas	399.74	J/mol×K	772.04	Joback Calculated Property
Cp,gas	409.22	J/mol×K	809.43	Joback Calculated Property
η	[0.0002448; 0.0033356]	Pa×s	[325.01; 585.06]
η	0.0033356	Pa×s	325.01	Joback Calculated Property
η	0.0016707	Pa×s	368.35	Joback Calculated Property
η	0.0009679	Pa×s	411.69	Joback Calculated Property
η	0.0006222	Pa×s	455.03	Joback Calculated Property
η	0.0004319	Pa×s	498.38	Joback Calculated Property
η	0.0003179	Pa×s	541.72	Joback Calculated Property
η	0.0002448	Pa×s	585.06	Joback Calculated Property

Similar Compounds

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

Sources

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

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