- InChI
- InChI=1S/C7H12F3NO3/c1-6(2,3)14-5(13)11-4(12)7(8,9)10/h4,12H,1-3H3,(H,11,13)
- InChI Key
- HVTJYNRKBXOBCX-UHFFFAOYSA-N
- Formula
- C7H12F3NO3
- SMILES
- CC(C)(C)OC(=O)NC(O)C(F)(F)F
- Molecular Weight1
- 215.17
- CAS
- 17049-74-0
- 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° | -854.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1142.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.02 | kJ/mol | Joback Calculated Property |
| log10WS | -2.43 | Crippen Calculated Property | |
| logPoct/wat | 1.392 | Crippen Calculated Property | |
| McVol | 138.090 | ml/mol | McGowan Calculated Property |
| Pc | 2992.59 | kPa | Joback Calculated Property |
| Tboil | 569.11 | K | Joback Calculated Property |
| Tc | 740.09 | K | Joback Calculated Property |
| Tfus | 345.90 | K | Joback Calculated Property |
| Vc | 0.531 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [366.58; 418.76] | J/mol×K | [569.11; 740.09] | 
|
| Cp,gas | 366.58 | J/mol×K | 569.11 | Joback Calculated Property |
| Cp,gas | 376.67 | J/mol×K | 597.61 | Joback Calculated Property |
| Cp,gas | 386.17 | J/mol×K | 626.10 | Joback Calculated Property |
| Cp,gas | 395.10 | J/mol×K | 654.60 | Joback Calculated Property |
| Cp,gas | 403.49 | J/mol×K | 683.10 | Joback Calculated Property |
| Cp,gas | 411.37 | J/mol×K | 711.59 | Joback Calculated Property |
| Cp,gas | 418.76 | J/mol×K | 740.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to tert-Butyl N-(1-hydroxy-2,2,2-trifluoroethyl)carbamate.
Sources
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