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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[278.54; 695.38]	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			-9.78400e+00
Coefficient B			1.20396e+00
Coefficient C			-5.57500e-04
Coefficient D			5.87000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	278.54	J/mol×K	273.00	Calculated Property
Cp,gas	348.97	J/mol×K	353.78	Calculated Property
Cp,gas	412.94	J/mol×K	434.56	Calculated Property
Cp,gas	470.64	J/mol×K	515.33	Calculated Property
Cp,gas	522.24	J/mol×K	596.11	Calculated Property
Cp,gas	567.93	J/mol×K	676.89	Calculated Property
Cp,gas	607.91	J/mol×K	757.67	Calculated Property
Cp,gas	642.35	J/mol×K	838.44	Calculated Property
Cp,gas	671.45	J/mol×K	919.22	Calculated Property
Cp,gas	695.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040110; 0.0003455]	Pa×s	[303.61; 528.39]	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			-1.12822e+01
Coefficient B			1.74986e+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.			303.61
Temperature range, max.			528.39
η	0.0040110	Pa×s	303.61	Calculated Property
η	0.0025882	Pa×s	328.59	Calculated Property
η	0.0017767	Pa×s	353.56	Calculated Property
η	0.0012817	Pa×s	378.54	Calculated Property
η	0.0009628	Pa×s	403.51	Calculated Property
η	0.0007478	Pa×s	428.49	Calculated Property
η	0.0005971	Pa×s	453.46	Calculated Property
η	0.0004882	Pa×s	478.44	Calculated Property
η	0.0004072	Pa×s	503.42	Calculated Property
η	0.0003455	Pa×s	528.39	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

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