- InChI
- InChI=1S/C26H36O10/c1-13(2)8-20(30)35-18-10-25(11-31-15(4)27)19(9-14(18)3)36-23-21(33-16(5)28)22(34-17(6)29)24(25,7)26(23)12-32-26/h9,13,18-19,21-23H,8,10-12H2,1-7H3
- InChI Key
- NOTOVTQRFFVBSB-UHFFFAOYSA-N
- Formula
- C26H36O10
- SMILES
-
CC(=O)OCC12CC(OC(=O)CC(C)C)C(C
)=CC1OC1C(OC(C)=O)C(OC(C)=O)C2 (C)C12CO2 - Molecular Weight1
- 508.56
- CAS
- 21259-21-2
- Other Names
-
- Acetyl T-2
- 12,13-Epoxytrichothec-9-ene-3-«alpha»,4-«beta»,8-«alpha»,15-tetrol 3,4,15-triacetate 8-isovalerate
- T-2 Acetate
- Acetyl-T-2-toxin
- T-2 Toxin, acetyl
- 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).
- 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° | -750.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1538.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.99 | kJ/mol | Joback Calculated Property |
| log10WS | -3.71 | Crippen Calculated Property | |
| logPoct/wat | 2.263 | Crippen Calculated Property | |
| McVol | 370.960 | ml/mol | McGowan Calculated Property |
| Pc | 1152.22 | kPa | Joback Calculated Property |
| Tboil | 1174.58 | K | Joback Calculated Property |
| Tc | 1439.14 | K | Joback Calculated Property |
| Tfus | 842.30 | K | Joback Calculated Property |
| Vc | 1.411 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1535.33; 1921.02] | J/mol×K | [1174.58; 1439.14] | 
|
| Cp,gas | 1535.33 | J/mol×K | 1174.58 | Joback Calculated Property |
| Cp,gas | 1586.28 | J/mol×K | 1218.67 | Joback Calculated Property |
| Cp,gas | 1641.79 | J/mol×K | 1262.77 | Joback Calculated Property |
| Cp,gas | 1702.44 | J/mol×K | 1306.86 | Joback Calculated Property |
| Cp,gas | 1768.81 | J/mol×K | 1350.96 | Joback Calculated Property |
| Cp,gas | 1841.48 | J/mol×K | 1395.05 | Joback Calculated Property |
| Cp,gas | 1921.02 | J/mol×K | 1439.14 | Joback Calculated Property |
Similar Compounds
Sources
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