Chemical Properties of 1,3,5-Trioxane, 2,4,6-tripropyl- (CAS 2396-43-2)

InChI

InChI=1S/C12H24O3/c1-4-7-10-13-11(8-5-2)15-12(14-10)9-6-3/h10-12H,4-9H2,1-3H3

InChI Key

OXSRKPVVVMMMER-UHFFFAOYSA-N

Formula

C12H24O3

SMILES

CCCC1OC(CCC)OC(CCC)O1

Molecular Weight¹

216.32

CAS

2396-43-2

Other Names

• s-Trioxane, 2,4,6-tripropyl-
• Parabutyraldehyde
• 2,4,6-Tripropyl-s-trioxane
• p-n-Butyraldehyde
• 2,4,6-tripropyl-1,3,5-trioxane

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.21; 606.61]	J/mol×K	[565.22; 754.84]
Cp,gas	503.21	J/mol×K	565.22	Joback Calculated Property
Cp,gas	522.67	J/mol×K	596.82	Joback Calculated Property
Cp,gas	541.22	J/mol×K	628.43	Joback Calculated Property
Cp,gas	558.88	J/mol×K	660.03	Joback Calculated Property
Cp,gas	575.65	J/mol×K	691.64	Joback Calculated Property
Cp,gas	591.56	J/mol×K	723.24	Joback Calculated Property
Cp,gas	606.61	J/mol×K	754.84	Joback Calculated Property
η	[0.0002784; 0.0040110]	Pa×s	[303.61; 565.22]
η	0.0040110	Pa×s	303.61	Joback Calculated Property
η	0.0019450	Pa×s	347.21	Joback Calculated Property
η	0.0011085	Pa×s	390.81	Joback Calculated Property
η	0.0007072	Pa×s	434.42	Joback Calculated Property
η	0.0004898	Pa×s	478.02	Joback Calculated Property
η	0.0003607	Pa×s	521.62	Joback Calculated Property
η	0.0002784	Pa×s	565.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3,5-Trioxane, 2,4,6-tripropyl-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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