- InChI
- InChI=1S/C3H4F3NO2/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H,8,9)
- InChI Key
- HMJQKIDUCWWIBW-UHFFFAOYSA-N
- Formula
- C3H4F3NO2
- SMILES
- NC(C(=O)O)C(F)(F)F
- Molecular Weight1
- 143.06
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6037 | Relay (1.0) Calculated Property | |
| ΔfG° | -808.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1095.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.039 | Crippen Calculated Property | |
| McVol | 75.860 | ml/mol | McGowan Calculated Property |
| Pc | 5087.49 | kPa | Joback Calculated Property |
| Inp | [840.00; 840.00] |
|
|
| Inp | 840.00 | NIST | |
| Inp | 840.00 | NIST | |
| Tboil | 423.62 | K | Relay (1.0) Calculated Property |
| Tc | 578.37 | K | Relay (1.0) Calculated Property |
| Tfus | 458.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.259 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.30; 209.98] | J/mol×K | [480.76; 655.99] |
|
| Cp,gas | 180.30 | J/mol×K | 480.76 | Joback Calculated Property |
| Cp,gas | 186.16 | J/mol×K | 509.96 | Joback Calculated Property |
| Cp,gas | 191.63 | J/mol×K | 539.17 | Joback Calculated Property |
| Cp,gas | 196.73 | J/mol×K | 568.37 | Joback Calculated Property |
| Cp,gas | 201.47 | J/mol×K | 597.58 | Joback Calculated Property |
| Cp,gas | 205.89 | J/mol×K | 626.78 | Joback Calculated Property |
| Cp,gas | 209.98 | J/mol×K | 655.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3,3-Trifluoroalanine.
Sources
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