- 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
- 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 | 0.7152 | Relay (1.0) Calculated Property | |
| ΔfG° | -390.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -715.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.927 | Crippen Calculated Property | |
| McVol | 128.680 | ml/mol | McGowan Calculated Property |
| Pc | 3431.89 | 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 | 706.26 | K | Relay (1.0) Calculated Property |
| Tfus | 472.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.449 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [329.14; 382.69] | J/mol×K | [576.53; 755.35] |
|
| Cp,gas | 329.14 | J/mol×K | 576.53 | Joback Calculated Property |
| Cp,gas | 339.23 | J/mol×K | 606.33 | Joback Calculated Property |
| Cp,gas | 348.84 | J/mol×K | 636.14 | Joback Calculated Property |
| Cp,gas | 357.98 | J/mol×K | 665.94 | Joback Calculated Property |
| Cp,gas | 366.66 | J/mol×K | 695.74 | Joback Calculated Property |
| Cp,gas | 374.89 | J/mol×K | 725.55 | Joback Calculated Property |
| Cp,gas | 382.69 | J/mol×K | 755.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Amino-3-fluoroheptanoic acid, threo.
Sources
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