Chemical Properties of 3,3-Dimethyl-2,4-pentane dione (CAS 3142-58-3)

InChI

InChI=1S/C7H12O2/c1-5(8)7(3,4)6(2)9/h1-4H3

InChI Key

SWGDHTSWHSSMLE-UHFFFAOYSA-N

Formula

C7H12O2

SMILES

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

Molecular Weight¹

128.17

CAS

3142-58-3

Other Names

• 2,4-Pentanedione, 3,3-dimethyl-
• 3,3-Dimethylacetylacetone
• 3,3-dimethylpentane-2,4-dione
• Dimethylacetylacetone

• 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	[154.37; 359.97]	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			-1.32300e+01
Coefficient B			7.38680e-01
Coefficient C			-4.91400e-04
Coefficient D			1.25920e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	154.37	J/mol×K	273.00	Calculated Property
Cp,gas	192.17	J/mol×K	353.78	Calculated Property
Cp,gas	225.31	J/mol×K	434.56	Calculated Property
Cp,gas	254.17	J/mol×K	515.33	Calculated Property
Cp,gas	279.16	J/mol×K	596.11	Calculated Property
Cp,gas	300.68	J/mol×K	676.89	Calculated Property
Cp,gas	319.12	J/mol×K	757.67	Calculated Property
Cp,gas	334.88	J/mol×K	838.44	Calculated Property
Cp,gas	348.37	J/mol×K	919.22	Calculated Property
Cp,gas	359.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030573; 0.0003504]	Pa×s	[292.15; 465.01]	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			-1.16176e+01
Coefficient B			1.70248e+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.			292.15
Temperature range, max.			465.01
η	0.0030573	Pa×s	292.15	Calculated Property
η	0.0021341	Pa×s	311.36	Calculated Property
η	0.0015533	Pa×s	330.56	Calculated Property
η	0.0011706	Pa×s	349.77	Calculated Property
η	0.0009086	Pa×s	368.98	Calculated Property
η	0.0007232	Pa×s	388.18	Calculated Property
η	0.0005881	Pa×s	407.39	Calculated Property
η	0.0004872	Pa×s	426.60	Calculated Property
η	0.0004102	Pa×s	445.81	Calculated Property
η	0.0003504	Pa×s	465.01	Calculated Property

Similar Compounds

Find more compounds similar to 3,3-Dimethyl-2,4-pentane dione.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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