Chemical Properties of Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, gamma-lactone, triacetate (CAS 97101-00-3)

Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, gamma-lactone, triacetate

InChI
InChI=1S/C13H16O8/c1-6(14)18-9-4-13(21-8(3)16)5-10(20-12(13)17)11(9)19-7(2)15/h9-11H,4-5H2,1-3H3
InChI Key
MPLSNFXRNHWLOA-UHFFFAOYSA-N
Formula
C13H16O8
SMILES
CC(=O)OC1CC2(OC(C)=O)CC(OC2=O)C1OC(C)=O
Molecular Weight1
300.26
CAS
97101-00-3
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Physical Properties

Property Value Unit Source
ΔfusH° 39.02 kJ/mol Joback Calculated Property
logPoct/wat -0.129 Crippen Calculated Property
McVol 202.070 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [611.21; 684.37] J/mol×K [734.30; 939.20] Show Hide
Cp,gas 611.21 J/mol×K 734.30 Joback Calculated Property
Cp,gas 625.15 J/mol×K 768.45 Joback Calculated Property
Cp,gas 638.28 J/mol×K 802.60 Joback Calculated Property
Cp,gas 650.68 J/mol×K 836.75 Joback Calculated Property
Cp,gas 662.44 J/mol×K 870.90 Joback Calculated Property
Cp,gas 673.64 J/mol×K 905.05 Joback Calculated Property
Cp,gas 684.37 J/mol×K 939.20 Joback Calculated Property

Similar Compounds

Cyclohexanecarboxylic acid, 1,3-dihydroxy-4,5-(isopropylidenedioxy)-, gamma-lactone, 1-acetate. 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid, gamma-lactone. 3-Deoxy-2C-(hydroxymethyl)threo-pentonic acid lactone, TMS. 3-Deoxy-2C-(hydroxymethyl)erithro-pentonic acid lactone, TMS. D-(-)-Quinic acid, tetramethyl ether, methyl ester. Diacetoxyscirpenol. ACETYL-T-2-TOXIN. Deoxynivalenol. Trichothec-9-en-8-one, 4-(acetyloxy)-12,13-epoxy-3,7,15-trihydroxy-, (3«alpha»,4«beta»,7«beta»)-. T-2 toxin. MONOACETOXYSCIRPENOL. Neosolaniol. 16«alpha»,17-dihydroxy-16,17-dihydroGA4-17-O-«beta»-D-glucopyranoside, permethylated. «alpha»-Terpineol, rutinoside, TFA. Ipanguline C3.

Find more compounds similar to Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, gamma-lactone, triacetate.

Sources

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