Chemical Properties of Hexanal, 3-oxo-2,2,4-triethyl

InChI

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

InChI Key

STPYTSFFEKDEDC-UHFFFAOYSA-N

Formula

C12H22O2

SMILES

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

Molecular Weight¹

198.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[264.11; 620.22]	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			-1.54160e+01
Coefficient B			1.22208e+00
Coefficient C			-7.78300e-04
Coefficient D			1.91860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	264.11	J/mol×K	273.00	Calculated Property
Cp,gas	328.01	J/mol×K	353.78	Calculated Property
Cp,gas	384.42	J/mol×K	434.56	Calculated Property
Cp,gas	433.93	J/mol×K	515.33	Calculated Property
Cp,gas	477.15	J/mol×K	596.11	Calculated Property
Cp,gas	514.70	J/mol×K	676.89	Calculated Property
Cp,gas	547.17	J/mol×K	757.67	Calculated Property
Cp,gas	575.18	J/mol×K	838.44	Calculated Property
Cp,gas	599.33	J/mol×K	919.22	Calculated Property
Cp,gas	620.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0063191; 0.0003036]	Pa×s	[304.35; 532.30]	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			-1.21532e+01
Coefficient B			2.15754e+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.			304.35
Temperature range, max.			532.30
η	0.0063191	Pa×s	304.35	Calculated Property
η	0.0036655	Pa×s	329.68	Calculated Property
η	0.0022981	Pa×s	355.00	Calculated Property
η	0.0015332	Pa×s	380.33	Calculated Property
η	0.0010759	Pa×s	405.66	Calculated Property
η	0.0007871	Pa×s	430.99	Calculated Property
η	0.0005962	Pa×s	456.31	Calculated Property
η	0.0004649	Pa×s	481.64	Calculated Property
η	0.0003717	Pa×s	506.97	Calculated Property
η	0.0003036	Pa×s	532.30	Calculated Property

Similar Compounds

Find more compounds similar to Hexanal, 3-oxo-2,2,4-triethyl.

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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