Chemical Properties of Hexanal, 3-oxo-2,2,4-triethyl (CAS 116435-57-5)

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

198.30

CAS

116435-57-5

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[465.30; 548.10]	J/mol×K	[572.82; 760.16]
Cp,gas	465.30	J/mol×K	572.82	Joback Calculated Property
Cp,gas	481.08	J/mol×K	604.04	Joback Calculated Property
Cp,gas	496.02	J/mol×K	635.27	Joback Calculated Property
Cp,gas	510.16	J/mol×K	666.49	Joback Calculated Property
Cp,gas	523.53	J/mol×K	697.71	Joback Calculated Property
Cp,gas	536.16	J/mol×K	728.93	Joback Calculated Property
Cp,gas	548.10	J/mol×K	760.16	Joback Calculated Property
η	[0.0002279; 0.0063191]	Pa×s	[304.35; 572.82]
η	0.0063191	Pa×s	304.35	Joback Calculated Property
η	0.0025471	Pa×s	349.09	Joback Calculated Property
η	0.0012621	Pa×s	393.84	Joback Calculated Property
η	0.0007217	Pa×s	438.58	Joback Calculated Property
η	0.0004577	Pa×s	483.33	Joback Calculated Property
η	0.0003136	Pa×s	528.07	Joback Calculated Property
η	0.0002279	Pa×s	572.82	Joback Calculated Property

Similar Compounds

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

Sources

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

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