- InChI
- InChI=1S/C7H14FNO2/c1-2-3-4-5(8)6(9)7(10)11/h5-6H,2-4,9H2,1H3,(H,10,11)/t5-,6+/m0/s1
- InChI Key
- PNQMPJSBZXUFMS-NTSWFWBYSA-N
- Formula
- C7H14FNO2
- SMILES
- CCCCC(F)C(N)C(=O)O
- Molecular Weight1
- 163.19
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -715.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.927 | Crippen Calculated Property | |
| McVol | 128.680 | ml/mol | McGowan Calculated Property |
| Pc | 3181.14 | kPa | Joback Calculated Property |
| Inp | [1251.00; 1251.00] |
|
|
| Inp | 1251.00 | NIST | |
| Inp | 1251.00 | NIST | |
| Tboil | 510.13 | K | Relay (1.0) Calculated Property |
| Tc | 714.93 | K | Relay (1.0) Calculated Property |
| Tfus | 475.15 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [331.77; 389.50] | J/mol×K | [576.19; 771.44] |
|
| Cp,gas | 331.77 | J/mol×K | 576.19 | Joback Calculated Property |
| Cp,gas | 342.82 | J/mol×K | 608.73 | Joback Calculated Property |
| Cp,gas | 353.27 | J/mol×K | 641.27 | Joback Calculated Property |
| Cp,gas | 363.14 | J/mol×K | 673.82 | Joback Calculated Property |
| Cp,gas | 372.45 | J/mol×K | 706.36 | Joback Calculated Property |
| Cp,gas | 381.23 | J/mol×K | 738.90 | Joback Calculated Property |
| Cp,gas | 389.50 | J/mol×K | 771.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Amino-3-fluoroheptanoic acid, threo.
Sources
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