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_p : 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	[277.60; 696.99]	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			-1.48300e+01
Coefficient B			1.22172e+00
Coefficient C			-5.67100e-04
Coefficient D			5.72000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	277.60	J/mol×K	273.00	Calculated Property
Cp,gas	348.94	J/mol×K	353.78	Calculated Property
Cp,gas	413.68	J/mol×K	434.56	Calculated Property
Cp,gas	471.99	J/mol×K	515.33	Calculated Property
Cp,gas	524.05	J/mol×K	596.11	Calculated Property
Cp,gas	570.05	J/mol×K	676.89	Calculated Property
Cp,gas	610.16	J/mol×K	757.67	Calculated Property
Cp,gas	644.56	J/mol×K	838.44	Calculated Property
Cp,gas	673.45	J/mol×K	919.22	Calculated Property
Cp,gas	696.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0113436; 0.0002731]	Pa×s	[258.61; 535.67]	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			-1.16842e+01
Coefficient B			1.86332e+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.			258.61
Temperature range, max.			535.67
η	0.0113436	Pa×s	258.61	Calculated Property
η	0.0052709	Pa×s	289.39	Calculated Property
η	0.0028381	Pa×s	320.18	Calculated Property
η	0.0017035	Pa×s	350.96	Calculated Property
η	0.0011102	Pa×s	381.75	Calculated Property
η	0.0007713	Pa×s	412.53	Calculated Property
η	0.0005636	Pa×s	443.32	Calculated Property
η	0.0004290	Pa×s	474.10	Calculated Property
η	0.0003376	Pa×s	504.89	Calculated Property
η	0.0002731	Pa×s	535.67	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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