- 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(O
C5C(CO)OC(OC6C(CO)OC(OC7C(CO)O C(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
- cyclohexaamylose
- «alpha»-Cyclodextrin
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -3250.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -5198.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 225.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 445.97 | kJ/mol | Joback Calculated Property |
| log10WS | 3.73 | Crippen Calculated Property | |
| logPoct/wat | -13.055 | Crippen Calculated Property | |
| McVol | 618.180 | ml/mol | McGowan Calculated Property |
| Pc | 1665.97 | kPa | Joback Calculated Property |
| Tboil | 3035.16 | K | Joback Calculated Property |
| Tfus | 1863.22 | K | Joback Calculated Property |
| Vc | 2.154 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [-4554.46; 2567.48] | J/mol×K | [332.68; 3035.16] | 
|
| Cp,gas | 1181.50 | J/mol×K | 332.68 | Joback Calculated Property |
| Cp,gas | 2567.48 | J/mol×K | 1233.51 | Joback Calculated Property |
| Cp,gas | 790.29 | J/mol×K | 2134.33 | Joback Calculated Property |
| Cp,gas | -4554.46 | J/mol×K | 3035.16 | Joback Calculated Property |
| Cp,solid | [1074.60; 1502.70] | J/mol×K | [288.15; 358.15] |
|
|
T(K) Solid phase heat capacity (J/mol×K) 1100 1200 1300 1400 1500 300 320 340 | ||||
| Cp,solid | 1074.60 | J/mol×K | 288.15 | Tempera... |
| Cp,solid | 1113.20 | J/mol×K | 293.15 | Tempera... |
| Cp,solid | 1150.00 | J/mol×K | 298.15 | Tempera... |
| Cp,solid | 1153.00 | J/mol×K | 298.15 | NIST |
| Cp,solid | 1164.10 | J/mol×K | 303.15 | Tempera... |
| Cp,solid | 1201.50 | J/mol×K | 308.15 | Tempera... |
| Cp,solid | 1212.60 | J/mol×K | 313.15 | Tempera... |
| Cp,solid | 1230.20 | J/mol×K | 318.15 | Tempera... |
| Cp,solid | 1259.30 | J/mol×K | 323.15 | Tempera... |
| Cp,solid | 1282.60 | J/mol×K | 328.15 | Tempera... |
| Cp,solid | 1305.30 | J/mol×K | 333.15 | Tempera... |
| Cp,solid | 1335.30 | J/mol×K | 338.15 | Tempera... |
| Cp,solid | 1364.60 | J/mol×K | 343.15 | Tempera... |
| Cp,solid | 1401.60 | J/mol×K | 348.15 | Tempera... |
| Cp,solid | 1442.60 | J/mol×K | 353.15 | Tempera... |
| Cp,solid | 1502.70 | J/mol×K | 358.15 | Tempera... |
| η | [0.0000000; 0.0000000] | Pa×s | [1863.22; 3035.16] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 2.00e-24 4.00e-24 6.00e-24 8.00e-24 1.00e-23 2000 2500 3000 | ||||
| η | 0.0000000 | Pa×s | 1863.22 | Joback Calculated Property |
| η | 0.0000000 | Pa×s | 2058.54 | Joback Calculated Property |
| η | 0.0000000 | Pa×s | 2253.87 | Joback Calculated Property |
| η | 0.0000000 | Pa×s | 2449.19 | Joback Calculated Property |
| η | 0.0000000 | Pa×s | 2644.51 | Joback Calculated Property |
| η | 0.0000000 | Pa×s | 2839.84 | Joback Calculated Property |
| η | 0.0000000 | Pa×s | 3035.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cyclohexapentylose.
Mixtures
- cyclohexapentylose + Procaine, hydrochloride + Water
- cyclohexapentylose + Octanoic acid + Water
- cyclohexapentylose + Water
- cyclohexapentylose + Sulfathiazole + Water
Sources
- Crippen Method
- Crippen Method
- Measurement and correlation of solubilities of the poorlywater-soluble pharmaceutical compound etodolac by addition of co-solvents
- Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
- Thermodynamic studies of drug - .alpha.-cyclodextrin interactions in water at 298.15 K: Procaine hydrochloride/lidocaine hydrochloride/tetracaine hydrochloride/ranitidine hydrochloride + .alpha.-cyclodextrin + H2O systems
- Limiting diffusion coefficients of sodium octanoate, and octanoic acid in aqueous solutions without and with .alpha.-cyclodextrin
- .alpha.-Cyclodextrin - Water binary system. New data on dehydration of .alpha.-cyclodextrin hexahydrate
- A volumetric approach: Interactions of some local anesthetical drugs with alpha-cyclodextrin in aqueous solutions at 298.15 K
- Effect of presence of alpha-cyclodextrin and beta-cyclodextrin on solution behavior of sulfathiazole at different temperatures: Thermodynamic and spectroscopic studies
- Effect of different excipients on aqueous solubility of leflunomide.Thermodynamic study
- Binary Mutual Diffusion Coefficients of Aqueous Solutions of r-Cyclodextrin, 2-Hydroxypropyl-r-cyclodextrin, and 2-Hydroxypropyl-a-cyclodextrin at Temperatures from (298.15 to 312.15) K
- Activity Coefficient Studies in Ternary Aqueous Solutions at 298.15 K: H2O + r-Cyclodextrin + Potassium Acetate and H2O + 18-Crown-6 + Hydroquinone Systems
- Joback Method
- McGowan Method
- NIST Webbook
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