- InChI
- InChI=1S/C15H22O6/c1-7-3-9-14(5-16,4-8(7)17)13(2)11(19)10(18)12(21-9)15(13)6-20-15/h3,8-12,16-19H,4-6H2,1-2H3
- InChI Key
- ZAXZBJSXSOISTF-UHFFFAOYSA-N
- Formula
- C15H22O6
- SMILES
-
CC1=CC2OC3C(O)C(O)C(C)(C2(CO)C
C1O)C31CO1 - Molecular Weight1
- 298.33
- CAS
- 34114-99-3
- Other Names
-
- Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, (3«alpha»,4«beta»,8«alpha»)-
- Trichothec-9-ene-3«alpha»,4«beta»,8«alpha»,15-tetrol, 12,13-epoxy-
- T-2 Tetraol toxin
- T-2 toxin tetraol
- 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° | -452.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -936.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.98 | kJ/mol | Joback Calculated Property |
| log10WS | -0.95 | Crippen Calculated Property | |
| logPoct/wat | -1.046 | Crippen Calculated Property | |
| McVol | 209.690 | ml/mol | McGowan Calculated Property |
| Pc | 3403.91 | kPa | Joback Calculated Property |
| Inp | 2547.00 | NIST | |
| Tboil | 986.90 | K | Joback Calculated Property |
| Tc | 1208.26 | K | Joback Calculated Property |
| Tfus | 687.97 | K | Joback Calculated Property |
| Vc | 0.781 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [834.46; 1043.40] | J/mol×K | [986.90; 1208.26] | 
|
| Cp,gas | 834.46 | J/mol×K | 986.90 | Joback Calculated Property |
| Cp,gas | 861.31 | J/mol×K | 1023.79 | Joback Calculated Property |
| Cp,gas | 890.82 | J/mol×K | 1060.69 | Joback Calculated Property |
| Cp,gas | 923.41 | J/mol×K | 1097.58 | Joback Calculated Property |
| Cp,gas | 959.44 | J/mol×K | 1134.47 | Joback Calculated Property |
| Cp,gas | 999.30 | J/mol×K | 1171.37 | Joback Calculated Property |
| Cp,gas | 1043.40 | J/mol×K | 1208.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to T-2 Tetraol.
Sources
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