Chemical Properties of 3-Oxabicyclo[3.2.1.]octane-2,4-dione, 6,7-dihydroxy-, 6,7-diacetate (CAS 13190-77-7)

3-Oxabicyclo[3.2.1.]octane-2,4-dione, 6,7-dihydroxy-, 6,7-diacetate

InChI
InChI=1S/C11H12O7/c1-4(12)16-8-6-3-7(9(8)17-5(2)13)11(15)18-10(6)14/h6-9H,3H2,1-2H3
InChI Key
RDFHBGLKBDMTEX-UHFFFAOYSA-N
Formula
C11H12O7
SMILES
CC(=O)OC1C2CC(C(=O)OC2=O)C1OC(C)=O
Molecular Weight1
256.21
CAS
13190-77-7
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Physical Properties

Property Value Unit Source
ΔfusH° 35.27 kJ/mol Joback Calculated Property
logPoct/wat -0.431 Crippen Calculated Property
McVol 168.020 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 [251.86; 583.08] 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 A1.69400e+01
Coefficient B9.64940e-01
Coefficient C-3.76400e-04
Coefficient D-2.24000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 251.86 J/mol×K 273.00 Calculated Property
Cp,gas 310.21 J/mol×K 353.78 Calculated Property
Cp,gas 363.34 J/mol×K 434.56 Calculated Property
Cp,gas 411.18 J/mol×K 515.33 Calculated Property
Cp,gas 453.65 J/mol×K 596.11 Calculated Property
Cp,gas 490.69 J/mol×K 676.89 Calculated Property
Cp,gas 522.22 J/mol×K 757.67 Calculated Property
Cp,gas 548.18 J/mol×K 838.44 Calculated Property
Cp,gas 568.49 J/mol×K 919.22 Calculated Property
Cp,gas 583.08 J/mol×K 1000.00 Calculated Property

Similar Compounds

Cyclopentanecarboxamide, 2,3-dihydroxy-4-(hydroxymethyl)-2,3-diacetate. GA11, Me. Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, gamma-lactone, triacetate. Trichothec-9-en-8-one, 4-(acetyloxy)-12,13-epoxy-3,7,15-trihydroxy-, (3«alpha»,4«beta»,7«beta»)-. «beta»-muricholic acid, acetate-methyl ester. Cholan-24-oic acid, 3,6,7-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,6«alpha»,7«alpha»)-. «alpha»-Muricholic acid, acetate-methyl ester. «omega»-Muricholic acid, acetate-methyl ester. 1-Oxo-4«alpha»,5«alpha»-epoxyeudesm-2-en-11«beta»H,12,6«alpha»-olid. 16«alpha»,17-dihydroxy-16,17-dihydroGA4-17-O-«beta»-D-glucopyranoside, permethylated. Diacetoxyscirpenol. 3«alpha»,6«beta»,7«beta»,12«beta»-Tetrahydroxy-5«beta»-cholanoic acid, acetate-methyl ester. 3«alpha»,6«alpha»,7«alpha»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, acetate-methyl ester. 3«alpha»,6«beta»,7«beta»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, acetate-methyl ester. 3«alpha»,6«beta»,7«alpha»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, acetate-methyl ester.

Find more compounds similar to 3-Oxabicyclo[3.2.1.]octane-2,4-dione, 6,7-dihydroxy-, 6,7-diacetate.

Sources

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