Chemical Properties of 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid, gamma-lactone (CAS 640-06-2)

1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid, gamma-lactone

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InChI
InChI=1S/C7H10O5/c8-3-1-7(11)2-4(5(3)9)12-6(7)10/h3-5,8-9,11H,1-2H2
InChI Key
QPJRIFFWEBJVFN-UHFFFAOYSA-N
Formula
C7H10O5
SMILES
O=C1OC2CC1(O)CC(O)C2O
Molecular Weight1
174.15
CAS
640-06-2
Sources

Physical Properties

Property Value Unit Source
Δf -534.72 kJ/mol Joback Calculated Property
Δfgas -806.36 kJ/mol Joback Calculated Property
Δfus 21.55 kJ/mol Joback Calculated Property
Δvap 88.37 kJ/mol Joback Calculated Property
logPoct/wat -1.84 Crippen Calculated Property
Pc 5926.27 kPa Joback Calculated Property
Tboil 743.79 K Joback Calculated Property
Tc 940.53 K Joback Calculated Property
Tfus 490.16 K Joback Calculated Property
Vc 0.41 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 368.39 J/mol×K 743.79 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
-OH (alcohol) 3
>C< (ring) 1
>C=O (ring) 1
>CH- (ring) 3
-CH2- (ring) 2

Similar Compounds

Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, gamma-lactone, triacetate. Cyclohexanecarboxylic acid, 1,3-dihydroxy-4,5-(isopropylidenedioxy)-, gamma-lactone, 1-acetate. D-(-)-quinic acid, tetramethyl ether, methyl ester. «alpha»,«beta»-Gluco-octonic acid lactone. 3-Deoxy-2C-(hydroxymethyl)erithro-pentonic acid lactone, TMS. 3-Deoxy-2C-(hydroxymethyl)threo-pentonic acid lactone, TMS. D-Glycero-D-gulo-heptonic acid, .gamma.-lactone. Gluconic acid «delta»-lactone. D-Gluconic acid, «delta»-lactone. D-glucaro-3,6-lactone. D-(tetrahydro-2,3,4-trihydroxy-5-oxofuran-2-yl)glycollic acid. Stearic acid, triethylcitrate ester. Methylcamphonanate. d-Gluconic acid, 2,3,4,6-tetra-O-methyl-, «delta»-lactone. Citric acid, tris[2-ethylhexyl] ester, acetate.

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