- InChI
- InChI=1S/C5H10FNO2/c1-5(2,6)3(7)4(8)9/h3H,7H2,1-2H3,(H,8,9)
- InChI Key
- ZFUKCHCGMBNYHH-UHFFFAOYSA-N
- Formula
- C5H10FNO2
- SMILES
- CC(C)(F)C(N)C(=O)O
- Molecular Weight1
- 135.14
- 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 | 0.6223 | Relay (1.0) Calculated Property | |
| ΔfG° | -402.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -706.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.146 | Crippen Calculated Property | |
| McVol | 100.500 | ml/mol | McGowan Calculated Property |
| Pc | 4420.84 | kPa | Joback Calculated Property |
| Inp | [1021.00; 1021.00] |
|
|
| Inp | 1021.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Tboil | 467.74 | K | Relay (1.0) Calculated Property |
| Tc | 655.50 | K | Relay (1.0) Calculated Property |
| Tfus | 491.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.342 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [244.12; 288.53] | J/mol×K | [527.98; 717.05] |
|
| Cp,gas | 244.12 | J/mol×K | 527.98 | Joback Calculated Property |
| Cp,gas | 252.75 | J/mol×K | 559.49 | Joback Calculated Property |
| Cp,gas | 260.86 | J/mol×K | 591.00 | Joback Calculated Property |
| Cp,gas | 268.46 | J/mol×K | 622.52 | Joback Calculated Property |
| Cp,gas | 275.59 | J/mol×K | 654.03 | Joback Calculated Property |
| Cp,gas | 282.27 | J/mol×K | 685.54 | Joback Calculated Property |
| Cp,gas | 288.53 | J/mol×K | 717.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluorovaline.
Sources
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