Chemical Properties of 2,4-Pentanedione, 3-(1-methylethyl)-

InChI

InChI=1S/C8H14O2/c1-5(2)8(6(3)9)7(4)10/h5,8H,1-4H3

InChI Key

BPIHCIRSGQKCLT-UHFFFAOYSA-N

Formula

C8H14O2

SMILES

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

Molecular Weight¹

142.20

Other Names

• 2,4-Pentanedione, 3-isopropyl-
• Isopropylacetylacetone
• 3-Isopropyl-2,4-pentanedione
• 3-(1-Methylethyl)pentane-2,4-dione

• ω : Acentric Factor.
• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[176.41; 411.17]	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			6.97000e+00
Coefficient B			7.19680e-01
Coefficient C			-3.80400e-04
Coefficient D			6.49200e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	176.41	J/mol×K	273.00	Calculated Property
Cp,gas	216.84	J/mol×K	353.78	Calculated Property
Cp,gas	253.20	J/mol×K	434.56	Calculated Property
Cp,gas	285.71	J/mol×K	515.33	Calculated Property
Cp,gas	314.56	J/mol×K	596.11	Calculated Property
Cp,gas	339.96	J/mol×K	676.89	Calculated Property
Cp,gas	362.11	J/mol×K	757.67	Calculated Property
Cp,gas	381.23	J/mol×K	838.44	Calculated Property
Cp,gas	397.51	J/mol×K	919.22	Calculated Property
Cp,gas	411.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0073425; 0.0003234]	Pa×s	[249.78; 478.48]	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			-1.14468e+01
Coefficient B			1.63174e+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.			249.78
Temperature range, max.			478.48
η	0.0073425	Pa×s	249.78	Calculated Property
η	0.0040167	Pa×s	275.19	Calculated Property
η	0.0024332	Pa×s	300.60	Calculated Property
η	0.0015938	Pa×s	326.01	Calculated Property
η	0.0011098	Pa×s	351.42	Calculated Property
η	0.0008115	Pa×s	376.83	Calculated Property
η	0.0006173	Pa×s	402.24	Calculated Property
η	0.0004851	Pa×s	427.66	Calculated Property
η	0.0003916	Pa×s	453.07	Calculated Property
η	0.0003234	Pa×s	478.48	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Pentanedione, 3-(1-methylethyl)-.

Sources

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

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