![[2H]Glucitolamine hexaacetate](/cid/23-526-2/2H-Glucitolamine-hexaacetate.png "[2H]Glucitolamine hexaacetate")
- InChI
- InChI=1S/C18H27NO11/c1-9(20)19-15(7-26-10(2)21)17(29-13(5)24)18(30-14(6)25)16(28-12(4)23)8-27-11(3)22/h15-18H,7-8H2,1-6H3,(H,19,20)
- InChI Key
- TYXRQWOGEBZZOX-UHFFFAOYSA-N
- Formula
- C18H27NO11
- SMILES
-
CC(=O)NC(COC(C)=O)C(OC(C)=O)C(
OC(C)=O)C(COC(C)=O)OC(C)=O - Molecular Weight1
- 433.41
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical 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° | -1118.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1719.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.07 | kJ/mol | Joback Calculated Property |
| log10WS | -1.08 | Crippen Calculated Property | |
| logPoct/wat | -0.588 | Crippen Calculated Property | |
| McVol | 313.230 | ml/mol | McGowan Calculated Property |
| Pc | 1470.23 | kPa | Joback Calculated Property |
| Inp | 2210.00 | NIST | |
| Tboil | 1094.97 | K | Joback Calculated Property |
| Tc | 1344.19 | K | Joback Calculated Property |
| Tfus | 696.01 | K | Joback Calculated Property |
| Vc | 1.181 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1022.43; 1040.68] | J/mol×K | [1094.97; 1344.19] | 
|
| Cp,gas | 1033.83 | J/mol×K | 1094.97 | Joback Calculated Property |
| Cp,gas | 1038.55 | J/mol×K | 1136.51 | Joback Calculated Property |
| Cp,gas | 1040.68 | J/mol×K | 1178.04 | Joback Calculated Property |
| Cp,gas | 1040.19 | J/mol×K | 1219.58 | Joback Calculated Property |
| Cp,gas | 1037.02 | J/mol×K | 1261.11 | Joback Calculated Property |
| Cp,gas | 1031.12 | J/mol×K | 1302.65 | Joback Calculated Property |
| Cp,gas | 1022.43 | J/mol×K | 1344.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to [2H]Glucitolamine hexaacetate.
Sources
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