- InChI
- InChI=1S/C21H39NO11/c1-11(23)22-14-17(27-5)16(13(10-25-3)31-20(14)30-8)33-21-19(29-7)18(28-6)15(26-4)12(32-21)9-24-2/h12-21H,9-10H2,1-8H3,(H,22,23)/t12-,13-,14-,15-,16-,17-,18+,19+,20-,21+/m0/s1
- InChI Key
- QOFHGUDPNFUDAH-CQAPXEFUSA-N
- Formula
- C21H39NO11
- SMILES
-
COCC1OC(OC)C(NC(C)=O)C(OC)C1OC
1OC(COC)C(OC)C(OC)C1OC - Molecular Weight1
- 481.53
- 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° | -938.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1911.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 74.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.21 | kJ/mol | Joback Calculated Property |
| log10WS | -0.35 | Crippen Calculated Property | |
| logPoct/wat | -0.675 | Crippen Calculated Property | |
| McVol | 355.280 | ml/mol | McGowan Calculated Property |
| Pc | 997.65 | kPa | Joback Calculated Property |
| Inp | [2698.00; 2698.00] |
|
|
| Inp | 2698.00 | NIST | |
| Inp | 2698.00 | NIST | |
| Tboil | 1018.92 | K | Joback Calculated Property |
| Tc | 1247.65 | K | Joback Calculated Property |
| Tfus | 640.84 | K | Joback Calculated Property |
| Vc | 1.296 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1346.22; 1369.61] | J/mol×K | [1018.92; 1247.65] |
|
| Cp,gas | 1346.22 | J/mol×K | 1018.92 | Joback Calculated Property |
| Cp,gas | 1357.81 | J/mol×K | 1057.04 | Joback Calculated Property |
| Cp,gas | 1365.66 | J/mol×K | 1095.16 | Joback Calculated Property |
| Cp,gas | 1369.61 | J/mol×K | 1133.28 | Joback Calculated Property |
| Cp,gas | 1369.54 | J/mol×K | 1171.41 | Joback Calculated Property |
| Cp,gas | 1365.30 | J/mol×K | 1209.53 | Joback Calculated Property |
| Cp,gas | 1356.75 | J/mol×K | 1247.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Mannosyl-(1-4)-N-acetylglucosamine, permethyl.
Sources
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