Chemical Properties of 2,4-Pentanedione, 3-acetyl- (CAS 815-68-9)

InChI

InChI=1S/C7H10O3/c1-4(8)7(5(2)9)6(3)10/h7H,1-3H3

InChI Key

AUZFRUHVDNDVJI-UHFFFAOYSA-N

Formula

C7H10O3

SMILES

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

Molecular Weight¹

142.15

CAS

815-68-9

Other Names

• 3-Acetyl-2,4-pentanedione
• Methane, triacetyl-
• Triacetylmethane
• Methane triacetate
• methine triacetate

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_boilr : Boiling point at reduced pressure (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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[156.44; 348.06]	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			1.69200e+01
Coefficient B			5.90760e-01
Coefficient C			-3.04100e-04
Coefficient D			4.44800e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	156.44	J/mol×K	273.00	Calculated Property
Cp,gas	189.83	J/mol×K	353.78	Calculated Property
Cp,gas	219.86	J/mol×K	434.56	Calculated Property
Cp,gas	246.69	J/mol×K	515.33	Calculated Property
Cp,gas	270.44	J/mol×K	596.11	Calculated Property
Cp,gas	291.26	J/mol×K	676.89	Calculated Property
Cp,gas	309.29	J/mol×K	757.67	Calculated Property
Cp,gas	324.68	J/mol×K	838.44	Calculated Property
Cp,gas	337.55	J/mol×K	919.22	Calculated Property
Cp,gas	348.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040411; 0.0004041]	Pa×s	[303.44; 505.88]	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			-1.12651e+01
Coefficient B			1.74595e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			303.44
Temperature range, max.			505.88
η	0.0040411	Pa×s	303.44	Calculated Property
η	0.0027168	Pa×s	325.93	Calculated Property
η	0.0019225	Pa×s	348.43	Calculated Property
η	0.0014187	Pa×s	370.92	Calculated Property
η	0.0010840	Pa×s	393.41	Calculated Property
η	0.0008527	Pa×s	415.90	Calculated Property
η	0.0006875	Pa×s	438.40	Calculated Property
η	0.0005660	Pa×s	460.89	Calculated Property
η	0.0004745	Pa×s	483.38	Calculated Property
η	0.0004041	Pa×s	505.88	Calculated Property

Similar Compounds

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

Sources

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

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