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

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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
Δf -775.50 kJ/mol Joback Calculated Property
Δfgas -1207.91 kJ/mol Joback Calculated Property
Δfus 33.19 kJ/mol Joback Calculated Property
Δvap 79.16 kJ/mol Joback Calculated Property
log10WS -0.95 Crippen Calculated Property
logPoct/wat -0.129 Crippen Calculated Property
McVol 202.070 ml/mol McGowan Calculated Property
Pc 2467.81 kPa Joback Calculated Property
Tboil 833.40 K Joback Calculated Property
Tc 1060.92 K Joback Calculated Property
Tfus 591.80 K Joback Calculated Property
Vc 0.757 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [653.14; 734.76] J/mol×K [833.40; 1060.92] Show Hide
Cp,gas 653.14 J/mol×K 833.40 Joback Calculated Property
Cp,gas 668.35 J/mol×K 871.32 Joback Calculated Property
Cp,gas 682.82 J/mol×K 909.24 Joback Calculated Property
Cp,gas 696.63 J/mol×K 947.16 Joback Calculated Property
Cp,gas 709.85 J/mol×K 985.08 Joback Calculated Property
Cp,gas 722.54 J/mol×K 1023.00 Joback Calculated Property
Cp,gas 734.76 J/mol×K 1060.92 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)erithro-pentonic acid lactone, TMS. 3-Deoxy-2C-(hydroxymethyl)threo-pentonic acid lactone, TMS. D-(-)-Quinic acid, tetramethyl ether, methyl ester. Diacetoxyscirpenol. Trichothec-9-ene-3-«alpha»,4-«beta»,8-«alpha»,15-tetrol, 12,13-epoxy-, 3,4,15-triacetate,8-isovalerate. Deoxynivalenol. T-2 toxin. Trichothec-9-en-8-one, 4-(acetyloxy)-12,13-epoxy-3,7,15-trihydroxy-, (3«alpha»,4«beta»,7«beta»)-. Desacetylanguidine. Neosolaniol. 16«alpha»,17-dihydroxy-16,17-dihydroGA4-17-O-«beta»-D-glucopyranoside, permethylated. «alpha»-Terpineol, rutinoside, TFA. ( S)-linalyl 6- O-(«alpha»-L-rhamonopyranosyl)-«beta»-D-glucopyranoside, TFA.

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

Sources

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