- InChI
- InChI=1S/C10H11F6NO4S/c1-4(2)21-6(18)5(17-7(19)9(11,12)13)3-22-8(20)10(14,15)16/h4-5H,3H2,1-2H3,(H,17,19)
- InChI Key
- LMJLCJJCFOICOI-UHFFFAOYSA-N
- Formula
- C10H11F6NO4S
- SMILES
-
CC(C)OC(=O)C(CSC(=O)C(F)(F)F)N
C(=O)C(F)(F)F - Molecular Weight1
- 355.25
- 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° | -1503.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1829.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.48 | kJ/mol | Joback Calculated Property |
| log10WS | -3.04 | Crippen Calculated Property | |
| logPoct/wat | 1.807 | Crippen Calculated Property | |
| McVol | 199.290 | ml/mol | McGowan Calculated Property |
| Pc | 2081.22 | kPa | Joback Calculated Property |
| Inp | [1302.00; 1302.00] |
|
|
| Inp | 1302.00 | NIST | |
| Inp | 1302.00 | NIST | |
| Tboil | 719.46 | K | Joback Calculated Property |
| Tc | 905.91 | K | Joback Calculated Property |
| Tfus | 439.92 | K | Joback Calculated Property |
| Vc | 0.794 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [565.32; 614.46] | J/mol×K | [719.46; 905.91] |
|
| Cp,gas | 565.32 | J/mol×K | 719.46 | Joback Calculated Property |
| Cp,gas | 575.29 | J/mol×K | 750.53 | Joback Calculated Property |
| Cp,gas | 584.51 | J/mol×K | 781.61 | Joback Calculated Property |
| Cp,gas | 593.00 | J/mol×K | 812.68 | Joback Calculated Property |
| Cp,gas | 600.80 | J/mol×K | 843.76 | Joback Calculated Property |
| Cp,gas | 607.94 | J/mol×K | 874.83 | Joback Calculated Property |
| Cp,gas | 614.46 | J/mol×K | 905.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cysteine, trifluoroacetyl-isopropyl ester.
Sources
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