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

InChI

InChI=1S/C12H24O3/c1-7(2)10-13-11(8(3)4)15-12(14-10)9(5)6/h7-12H,1-6H3

InChI Key

XYIANCZIPATGDH-UHFFFAOYSA-N

Formula

C12H24O3

SMILES

CC(C)C1OC(C(C)C)OC(C(C)C)O1

Molecular Weight¹

216.32

• 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.90; 613.50]	J/mol×K	[563.70; 764.97]
Cp,gas	503.90	J/mol×K	563.70	Joback Calculated Property
Cp,gas	524.74	J/mol×K	597.25	Joback Calculated Property
Cp,gas	544.53	J/mol×K	630.79	Joback Calculated Property
Cp,gas	563.29	J/mol×K	664.34	Joback Calculated Property
Cp,gas	581.03	J/mol×K	697.88	Joback Calculated Property
Cp,gas	597.76	J/mol×K	731.43	Joback Calculated Property
Cp,gas	613.50	J/mol×K	764.97	Joback Calculated Property
η	[0.0002297; 0.0113436]	Pa×s	[258.61; 563.70]
η	0.0113436	Pa×s	258.61	Joback Calculated Property
η	0.0034721	Pa×s	309.46	Joback Calculated Property
η	0.0014844	Pa×s	360.31	Joback Calculated Property
η	0.0007830	Pa×s	411.16	Joback Calculated Property
η	0.0004755	Pa×s	462.00	Joback Calculated Property
η	0.0003188	Pa×s	512.85	Joback Calculated Property
η	0.0002297	Pa×s	563.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6-Tri-isopropyl-[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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