Chemical Properties of 1,3,3,4,6,6-Hexamethyl-2,5,7-trioxabicyclo[2.2.1]heptane (CAS 7045-89-8)

1,3,3,4,6,6-Hexamethyl-2,5,7-trioxabicyclo[2.2.1]heptane

InChI
InChI=1S/C10H18O3/c1-7(2)9(5)12-8(3,4)10(6,11-7)13-9/h1-6H3
InChI Key
VKNKFXJFQVTQKD-UHFFFAOYSA-N
Formula
C10H18O3
SMILES
CC1(C)OC2(C)OC1(C)OC2(C)C
Molecular Weight1
186.25
CAS
7045-89-8
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Physical Properties

Property Value Unit Source
ΔfusH° 16.71 kJ/mol Joback Calculated Property
logPoct/wat 2.053 Crippen Calculated Property
McVol 147.650 ml/mol McGowan Calculated Property

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 [206.74; 597.69] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.47930e+02
Coefficient B2.35172e+00
Coefficient C-2.89210e-03
Coefficient D1.38600e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 206.74 J/mol×K 273.00 Calculated Property
Cp,gas 283.45 J/mol×K 353.78 Calculated Property
Cp,gas 341.62 J/mol×K 434.56 Calculated Property
Cp,gas 385.62 J/mol×K 515.33 Calculated Property
Cp,gas 419.85 J/mol×K 596.11 Calculated Property
Cp,gas 448.67 J/mol×K 676.89 Calculated Property
Cp,gas 476.49 J/mol×K 757.67 Calculated Property
Cp,gas 507.67 J/mol×K 838.44 Calculated Property
Cp,gas 546.61 J/mol×K 919.22 Calculated Property
Cp,gas 597.69 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-(1-Hydroxy-1-methylethyl-2-methyl-1,3-dioxane. 2-Ethoxy-4,4,5,5-tetramethyl-1,3-dioxolane. 6,8-Dioxabicyclo[3.2.1]octane, 1,5-dimethyl-, (1S)-. Promoxolane. 7,7-dimethyl-6,8-dioxa-bicyclo[ 3.2.1]octane. 1,2:4,6-DI-O-ISOPROPYLIDENE-L-SORBOPYRANOSE. Sucrose Octaacetate. 7,10-Epoxy-10-methoxysalvialane. «alpha»-D-Glucopyranoside, 1,3,4,6-tetra-O-methyl-«beta»-D-fructofuranosyl 2,3,4,6-tetra-O-methyl-. 1,3-Dioxolane, 2-methyl-2-(1-methylethyl)-. «alpha»-D-Xylofuranose, 1,2:3,5-bis-O-(1-methylethylidene)-. «alpha»-D-Glucopyranoside, 1,3,4,6-tetra-O-methyl-«beta»-D-fructofuranosyl 2,3,4-tri-O-methyl-6-O-(2,3,4,6-tetra-O-methyl-«alpha»-D-galactopyranosyl)-. Stachyose, permethyl. DIHYDROARTEMISININ, 3-DESOXY-. D-fructopyranose, 2,3:5,6-di-o-isopropylidene-,.

Find more compounds similar to 1,3,3,4,6,6-Hexamethyl-2,5,7-trioxabicyclo[2.2.1]heptane.

Sources

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