- InChI
- InChI=1S/C3H6FNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)
- InChI Key
- UYTSRQMXRROFPU-UHFFFAOYSA-N
- Formula
- C3H6FNO2
- SMILES
- NC(CF)C(=O)O
- Molecular Weight1
- 107.08
- 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 | 0.6478 | Relay (1.0) Calculated Property | |
| ΔfG° | -422.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -615.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.632 | Crippen Calculated Property | |
| McVol | 72.320 | ml/mol | McGowan Calculated Property |
| Pc | 5644.74 | kPa | Joback Calculated Property |
| Inp | [922.00; 922.00] |
|
|
| Inp | 922.00 | NIST | |
| Inp | 922.00 | NIST | |
| Tboil | 479.53 | K | Relay (1.0) Calculated Property |
| Tc | 682.24 | K | Relay (1.0) Calculated Property |
| Tfus | 529.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.253 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [159.74; 190.57] | J/mol×K | [485.45; 667.76] |
|
| Cp,gas | 159.74 | J/mol×K | 485.45 | Joback Calculated Property |
| Cp,gas | 165.55 | J/mol×K | 515.83 | Joback Calculated Property |
| Cp,gas | 171.08 | J/mol×K | 546.22 | Joback Calculated Property |
| Cp,gas | 176.34 | J/mol×K | 576.60 | Joback Calculated Property |
| Cp,gas | 181.34 | J/mol×K | 606.99 | Joback Calculated Property |
| Cp,gas | 186.08 | J/mol×K | 637.37 | Joback Calculated Property |
| Cp,gas | 190.57 | J/mol×K | 667.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoroalanine.
Sources
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