Chemical Properties of 3,8-Decanedione, 2,9-dimethyl-

InChI

InChI=1S/C12H22O2/c1-9(2)11(13)7-5-6-8-12(14)10(3)4/h9-10H,5-8H2,1-4H3

InChI Key

HXQGDVMNCVJPFP-UHFFFAOYSA-N

Formula

C12H22O2

SMILES

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

Molecular Weight¹

198.31

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[261.27; 617.53]	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			3.33400e+00
Coefficient B			1.09968e+00
Coefficient C			-5.98000e-04
Coefficient D			1.12520e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	261.27	J/mol×K	273.00	Calculated Property
Cp,gas	322.51	J/mol×K	353.78	Calculated Property
Cp,gas	377.51	J/mol×K	434.56	Calculated Property
Cp,gas	426.62	J/mol×K	515.33	Calculated Property
Cp,gas	470.20	J/mol×K	596.11	Calculated Property
Cp,gas	508.60	J/mol×K	676.89	Calculated Property
Cp,gas	542.18	J/mol×K	757.67	Calculated Property
Cp,gas	571.29	J/mol×K	838.44	Calculated Property
Cp,gas	596.29	J/mol×K	919.22	Calculated Property
Cp,gas	617.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0061035; 0.0002844]	Pa×s	[294.86; 536.29]	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			-1.19102e+01
Coefficient B			2.00838e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			294.86
Temperature range, max.			536.29
η	0.0061035	Pa×s	294.86	Calculated Property
η	0.0034586	Pa×s	321.69	Calculated Property
η	0.0021390	Pa×s	348.51	Calculated Property
η	0.0014169	Pa×s	375.34	Calculated Property
η	0.0009916	Pa×s	402.16	Calculated Property
η	0.0007256	Pa×s	428.99	Calculated Property
η	0.0005509	Pa×s	455.81	Calculated Property
η	0.0004312	Pa×s	482.64	Calculated Property
η	0.0003464	Pa×s	509.46	Calculated Property
η	0.0002844	Pa×s	536.29	Calculated Property

Similar Compounds

Find more compounds similar to 3,8-Decanedione, 2,9-dimethyl-.

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
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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