Chemical Properties of 2,4,6-Tri-isobutyl-[1,3,5]trioxane, stereoisomer 1

InChI

InChI=1S/C15H30O3/c1-10(2)7-13-16-14(8-11(3)4)18-15(17-13)9-12(5)6/h10-15H,7-9H2,1-6H3

InChI Key

SBVHSWJZXOYLFE-UHFFFAOYSA-N

Formula

C15H30O3

SMILES

CC(C)CC1OC(CC(C)C)OC(CC(C)C)O1

Molecular Weight¹

258.40

• 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).
• I : Polar retention indices.
• 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	[341.24; 851.76]	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			-1.75570e+01
Coefficient B			1.50672e+00
Coefficient C			-7.30300e-04
Coefficient D			9.29000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	341.24	J/mol×K	273.00	Calculated Property
Cp,gas	428.20	J/mol×K	353.78	Calculated Property
Cp,gas	506.91	J/mol×K	434.56	Calculated Property
Cp,gas	577.68	J/mol×K	515.33	Calculated Property
Cp,gas	640.78	J/mol×K	596.11	Calculated Property
Cp,gas	696.53	J/mol×K	676.89	Calculated Property
Cp,gas	745.21	J/mol×K	757.67	Calculated Property
Cp,gas	787.11	J/mol×K	838.44	Calculated Property
Cp,gas	822.53	J/mol×K	919.22	Calculated Property
Cp,gas	851.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0085194; 0.0002265]	Pa×s	[292.42; 578.24]	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			-1.21035e+01
Coefficient B			2.14580e+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.			292.42
Temperature range, max.			578.24
η	0.0085194	Pa×s	292.42	Calculated Property
η	0.0041515	Pa×s	324.18	Calculated Property
η	0.0022999	Pa×s	355.94	Calculated Property
η	0.0014036	Pa×s	387.69	Calculated Property
η	0.0009231	Pa×s	419.45	Calculated Property
η	0.0006440	Pa×s	451.21	Calculated Property
η	0.0004711	Pa×s	482.97	Calculated Property
η	0.0003581	Pa×s	514.73	Calculated Property
η	0.0002811	Pa×s	546.48	Calculated Property
η	0.0002265	Pa×s	578.24	Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6-Tri-isobutyl-[1,3,5]trioxane, stereoisomer 1.

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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