Chemical Properties of 2,4-Pentanedione, 3-(phenylmethyl)- (CAS 1134-87-8)

InChI

InChI=1S/C12H14O2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3

InChI Key

WAJQTBOWJRUOOO-UHFFFAOYSA-N

Formula

C12H14O2

SMILES

CC(=O)C(Cc1ccccc1)C(C)=O

Molecular Weight¹

190.24

CAS

1134-87-8

Other Names

• 2,4-Pentanedione, 3-benzyl-
• 3-Benzyl-2,4-pentanedione

• 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).
• 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	[204.33; 498.47]	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			-2.88890e+01
Coefficient B			1.01484e+00
Coefficient C			-6.26000e-04
Coefficient D			1.38520e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	204.33	J/mol×K	273.00	Calculated Property
Cp,gas	257.92	J/mol×K	353.78	Calculated Property
Cp,gas	305.27	J/mol×K	434.56	Calculated Property
Cp,gas	346.80	J/mol×K	515.33	Calculated Property
Cp,gas	382.96	J/mol×K	596.11	Calculated Property
Cp,gas	414.19	J/mol×K	676.89	Calculated Property
Cp,gas	440.91	J/mol×K	757.67	Calculated Property
Cp,gas	463.57	J/mol×K	838.44	Calculated Property
Cp,gas	482.61	J/mol×K	919.22	Calculated Property
Cp,gas	498.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032069; 0.0002622]	Pa×s	[336.28; 579.94]	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			-1.17017e+01
Coefficient B			2.00398e+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.			336.28
Temperature range, max.			579.94
η	0.0032069	Pa×s	336.28	Calculated Property
η	0.0020571	Pa×s	363.35	Calculated Property
η	0.0014033	Pa×s	390.43	Calculated Property
η	0.0010060	Pa×s	417.50	Calculated Property
η	0.0007510	Pa×s	444.57	Calculated Property
η	0.0005798	Pa×s	471.65	Calculated Property
η	0.0004604	Pa×s	498.72	Calculated Property
η	0.0003743	Pa×s	525.80	Calculated Property
η	0.0003106	Pa×s	552.87	Calculated Property
η	0.0002622	Pa×s	579.94	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Pentanedione, 3-(phenylmethyl)-.

Sources

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

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