- InChI
- InChI=1S/C9H15F3O3/c1-6(5-14-8(2,3)4)15-7(13)9(10,11)12/h6H,5H2,1-4H3
- InChI Key
- KQUKTGUJHIFMOJ-UHFFFAOYSA-N
- Formula
- C9H15F3O3
- SMILES
- CC(COC(C)(C)C)OC(=O)C(F)(F)F
- Molecular Weight1
- 228.21
- 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° | -895.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1217.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.76 | kJ/mol | Joback Calculated Property |
| log10WS | -2.43 | Crippen Calculated Property | |
| logPoct/wat | 2.296 | Crippen Calculated Property | |
| McVol | 156.290 | ml/mol | McGowan Calculated Property |
| Pc | 2179.52 | kPa | Joback Calculated Property |
| Inp | [878.00; 878.00] |
|
|
| Inp | 878.00 | NIST | |
| Inp | 878.00 | NIST | |
| Tboil | 494.94 | K | Joback Calculated Property |
| Tc | 666.54 | K | Joback Calculated Property |
| Tfus | 277.19 | K | Joback Calculated Property |
| Vc | 0.608 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [378.86; 450.24] | J/mol×K | [494.94; 666.54] |
|
| Cp,gas | 378.86 | J/mol×K | 494.94 | Joback Calculated Property |
| Cp,gas | 392.35 | J/mol×K | 523.54 | Joback Calculated Property |
| Cp,gas | 405.18 | J/mol×K | 552.14 | Joback Calculated Property |
| Cp,gas | 417.36 | J/mol×K | 580.74 | Joback Calculated Property |
| Cp,gas | 428.92 | J/mol×K | 609.34 | Joback Calculated Property |
| Cp,gas | 439.87 | J/mol×K | 637.94 | Joback Calculated Property |
| Cp,gas | 450.24 | J/mol×K | 666.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-tert-Butoxy-2-propanol, trifluoroacetate.
Sources
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