- InChI
- InChI=1S/C4H8FNO2/c1-2(5)3(6)4(7)8/h2-3H,6H2,1H3,(H,7,8)/t2-,3-/m0/s1
- InChI Key
- HJVQOHDATXHIJL-HRFVKAFMSA-N
- Formula
- C4H8FNO2
- SMILES
- CC(F)C(N)C(=O)O
- Molecular Weight1
- 121.11
- 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 | 0.6309 | Relay (1.0) Calculated Property | |
| ΔfG° | -416.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -670.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.244 | Crippen Calculated Property | |
| McVol | 86.410 | ml/mol | McGowan Calculated Property |
| Pc | 4966.33 | kPa | Joback Calculated Property |
| Inp | 966.00 | NIST | |
| Tboil | 468.29 | K | Relay (1.0) Calculated Property |
| Tc | 658.12 | K | Relay (1.0) Calculated Property |
| Tfus | 500.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.301 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [199.36; 237.44] | J/mol×K | [507.89; 692.13] | 
|
| Cp,gas | 199.36 | J/mol×K | 507.89 | Joback Calculated Property |
| Cp,gas | 206.55 | J/mol×K | 538.60 | Joback Calculated Property |
| Cp,gas | 213.40 | J/mol×K | 569.30 | Joback Calculated Property |
| Cp,gas | 219.90 | J/mol×K | 600.01 | Joback Calculated Property |
| Cp,gas | 226.07 | J/mol×K | 630.72 | Joback Calculated Property |
| Cp,gas | 231.91 | J/mol×K | 661.43 | Joback Calculated Property |
| Cp,gas | 237.44 | J/mol×K | 692.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Amino-3-fluorobutyric acid, erythro.
Sources
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