- InChI
- InChI=1S/C11H10F3NO3/c12-11(13,14)10(18)15-8(6-16)5-7-1-3-9(17)4-2-7/h1-4,6,8,17H,5H2,(H,15,18)
- InChI Key
- KRQPEINSTYQVPV-UHFFFAOYSA-N
- Formula
- C11H10F3NO3
- SMILES
-
O=CC(Cc1ccc(O)cc1)NC(=O)C(F)(F
)F - Molecular Weight1
- 261.20
- 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° | -723.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -958.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.14 | kJ/mol | Joback Calculated Property |
| log10WS | -2.10 | Crippen Calculated Property | |
| logPoct/wat | 1.181 | Crippen Calculated Property | |
| McVol | 166.390 | ml/mol | McGowan Calculated Property |
| Pc | 3257.86 | kPa | Joback Calculated Property |
| Inp | [1585.00; 1603.00] |
|
|
| Inp | 1597.00 | NIST | |
| Inp | 1601.00 | NIST | |
| Inp | 1603.00 | NIST | |
| Inp | 1585.00 | NIST | |
| Inp | 1585.00 | NIST | |
| Inp | 1597.00 | NIST | |
| Tboil | 705.22 | K | Joback Calculated Property |
| Tc | 915.90 | K | Joback Calculated Property |
| Tfus | 485.65 | K | Joback Calculated Property |
| Vc | 0.605 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [463.25; 514.07] | J/mol×K | [705.22; 915.90] |
|
| Cp,gas | 463.25 | J/mol×K | 705.22 | Joback Calculated Property |
| Cp,gas | 473.23 | J/mol×K | 740.33 | Joback Calculated Property |
| Cp,gas | 482.48 | J/mol×K | 775.45 | Joback Calculated Property |
| Cp,gas | 491.09 | J/mol×K | 810.56 | Joback Calculated Property |
| Cp,gas | 499.17 | J/mol×K | 845.67 | Joback Calculated Property |
| Cp,gas | 506.79 | J/mol×K | 880.78 | Joback Calculated Property |
| Cp,gas | 514.07 | J/mol×K | 915.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tyr, N-TFA.
Sources
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