Chemical Properties of Pivaloylacetone, keto form

InChI

InChI=1S/C8H14O2/c1-6(9)5-7(10)8(2,3)4/h5H2,1-4H3

InChI Key

LCLCVVVHIPPHCG-UHFFFAOYSA-N

Formula

C8H14O2

SMILES

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

Molecular Weight¹

142.20

Other Names

• 5,5-Dimethyl-hexan-2,4-dione
• 5,5-Dimethylhexane-2,4-dione
• 5,5-dimethyl-2,4-hexadione

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[175.58; 411.56]	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			-1.41390e+01
Coefficient B			8.33680e-01
Coefficient C			-5.45800e-04
Coefficient D			1.37820e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	175.58	J/mol×K	273.00	Calculated Property
Cp,gas	218.59	J/mol×K	353.78	Calculated Property
Cp,gas	256.38	J/mol×K	434.56	Calculated Property
Cp,gas	289.40	J/mol×K	515.33	Calculated Property
Cp,gas	318.07	J/mol×K	596.11	Calculated Property
Cp,gas	342.84	J/mol×K	676.89	Calculated Property
Cp,gas	364.14	J/mol×K	757.67	Calculated Property
Cp,gas	382.40	J/mol×K	838.44	Calculated Property
Cp,gas	398.06	J/mol×K	919.22	Calculated Property
Cp,gas	411.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047661; 0.0003477]	Pa×s	[282.20; 479.27]	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			-1.17128e+01
Coefficient B			1.79664e+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.			282.20
Temperature range, max.			479.27
η	0.0047661	Pa×s	282.20	Calculated Property
η	0.0030135	Pa×s	304.10	Calculated Property
η	0.0020264	Pa×s	325.99	Calculated Property
η	0.0014324	Pa×s	347.89	Calculated Property
η	0.0010550	Pa×s	369.79	Calculated Property
η	0.0008041	Pa×s	391.68	Calculated Property
η	0.0006307	Pa×s	413.58	Calculated Property
η	0.0005069	Pa×s	435.48	Calculated Property
η	0.0004161	Pa×s	457.38	Calculated Property
η	0.0003477	Pa×s	479.27	Calculated Property

Similar Compounds

Find more compounds similar to Pivaloylacetone, keto form.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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