Chemical Properties of 3-Hydroxy-3-methyl-2,4-nonanedione

InChI

InChI=1S/C10H18O3/c1-4-5-6-7-9(12)10(3,13)8(2)11/h13H,4-7H2,1-3H3

InChI Key

LWAGDIOTWITDPB-UHFFFAOYSA-N

Formula

C10H18O3

SMILES

CCCCCC(=O)C(C)(O)C(C)=O

Molecular Weight¹

186.25

• 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).
• I_np : Non-polar retention indices.
• 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 Volume, Standard Gibbs free energy of formation 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	[230.51; 533.41]	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			-1.06660e+01
Coefficient B			1.05766e+00
Coefficient C			-6.85000e-04
Coefficient D			1.71420e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	230.51	J/mol×K	273.00	Calculated Property
Cp,gas	285.37	J/mol×K	353.78	Calculated Property
Cp,gas	333.66	J/mol×K	434.56	Calculated Property
Cp,gas	375.93	J/mol×K	515.33	Calculated Property
Cp,gas	412.71	J/mol×K	596.11	Calculated Property
Cp,gas	444.56	J/mol×K	676.89	Calculated Property
Cp,gas	472.02	J/mol×K	757.67	Calculated Property
Cp,gas	495.61	J/mol×K	838.44	Calculated Property
Cp,gas	515.90	J/mol×K	919.22	Calculated Property
Cp,gas	533.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0052791; 0.0001466]	Pa×s	[365.56; 565.60]	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			-1.53779e+01
Coefficient B			3.70455e+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.			365.56
Temperature range, max.			565.60
η	0.0052791	Pa×s	365.56	Calculated Property
η	0.0029533	Pa×s	387.79	Calculated Property
η	0.0017595	Pa×s	410.01	Calculated Property
η	0.0011056	Pa×s	432.24	Calculated Property
η	0.0007271	Pa×s	454.47	Calculated Property
η	0.0004972	Pa×s	476.69	Calculated Property
η	0.0003517	Pa×s	498.92	Calculated Property
η	0.0002562	Pa×s	521.15	Calculated Property
η	0.0001916	Pa×s	543.37	Calculated Property
η	0.0001466	Pa×s	565.60	Calculated Property

Similar Compounds

Find more compounds similar to 3-Hydroxy-3-methyl-2,4-nonanedione.

Sources

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

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