Chemical Properties of .alpha.-Cyclodextrin (CAS 10016-20-3)

.alpha.-Cyclodextrin

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InChI
InChI=1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7?,8?,9?,10?,11?,12?,13?,14?,15?,16?,17?,18?,19?,20?,21?,22?,23?,24?,25-,26-,27-,28-,29-,30?,31-,32?,33-,34-,35-,36-/m0/s1
InChI Key
HFHDHCJBZVLPGP-OQDZSFIYSA-N
Formula
C36H60O30
SMILES
OCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC1C(O)C2O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O
Molecular Weight1
972.84
CAS
10016-20-3
Other Names
  • «alpha»-Cyclodextrin
Sources

Physical Properties

Property Value Unit Source
Δf -3250.14 kJ/mol Joback Calculated Property
Δfgas -5198.09 kJ/mol Joback Calculated Property
Δfus 225.81 kJ/mol Joback Calculated Property
Δvap 445.97 kJ/mol Joback Calculated Property
logPoct/wat -13.05 Crippen Calculated Property
Pc 1665.97 kPa Joback Calculated Property
Tboil 3035.16 K Joback Calculated Property
Tfus 1863.22 K Joback Calculated Property
Vc 2.15 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas -4554.46 J/mol×K 3035.16 Joback Calculated Property
Cp,solid 1153.00 J/mol×K 298.15 NIST
η 0.00 Pa×s 3035.16 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 12
-CH2- 6
>CH- (ring) 30
-OH (alcohol) 18

Similar Compounds

D-Glucose, 4-O-«alpha»-D-glucopyranosyl-, hydrate (1:1). «alpha»-D-Glucopyranose, 4-O-«beta»-D-galactopyranosyl-, hydrate (1:1). Cellobiose. «beta»-D-Glucopyranose, 4-O-«beta»-D-galactopyranosyl-. D-cellobiose. Maltose. ALPHA-D-(+)-LACTOSE. Lactose monohydrate. Lactose. D-(+)-maltose. Alpha-d-melibiose, monohydrate. Maltotetraose, permethyl. Maltotriose, permethyl. D-glucose, 4,6-o-ethylidene. «beta»-D-Glucopyranoside, 1-(2-butyl), permethylated, # 2.

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