- InChI
- InChI=1S/C6H12FNO2/c1-3(2)4(7)5(8)6(9)10/h3-5H,8H2,1-2H3,(H,9,10)/t4-,5+/m0/s1
- InChI Key
- SYEUPUMYWNMWKJ-CRCLSJGQSA-N
- Formula
- C6H12FNO2
- SMILES
- CC(C)C(F)C(N)C(=O)O
- Molecular Weight1
- 149.16
- 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 | 0.6516 | Relay (1.0) Calculated Property | |
| ΔfG° | -401.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -690.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.392 | Crippen Calculated Property | |
| McVol | 114.590 | ml/mol | McGowan Calculated Property |
| Pc | 3891.64 | kPa | Joback Calculated Property |
| Inp | 1152.00 | NIST | |
| Tboil | 491.43 | K | Relay (1.0) Calculated Property |
| Tc | 679.62 | K | Relay (1.0) Calculated Property |
| Tfus | 480.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.387 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [284.41; 334.40] | J/mol×K | [553.21; 737.17] | 
|
| Cp,gas | 284.41 | J/mol×K | 553.21 | Joback Calculated Property |
| Cp,gas | 293.87 | J/mol×K | 583.87 | Joback Calculated Property |
| Cp,gas | 302.87 | J/mol×K | 614.53 | Joback Calculated Property |
| Cp,gas | 311.40 | J/mol×K | 645.19 | Joback Calculated Property |
| Cp,gas | 319.49 | J/mol×K | 675.85 | Joback Calculated Property |
| Cp,gas | 327.16 | J/mol×K | 706.51 | Joback Calculated Property |
| Cp,gas | 334.40 | J/mol×K | 737.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoronorleucine, threo.
Sources
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