- InChI
- InChI=1S/C7H7F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,4,10H2
- InChI Key
- PQCUDKMMPTXMAL-UHFFFAOYSA-N
- Formula
- C7H7F2N
- SMILES
- NCc1c(F)cccc1F
- Molecular Weight1
- 143.13
- CAS
- 69385-30-4
- Other Names
-
- Benzenemethanamine, 2,6-difluoro-
- 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).
- 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 | 0.4271 | Relay (1.0) Calculated Property | |
| ΔfG° | -221.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.424 | Crippen Calculated Property | |
| McVol | 99.250 | ml/mol | McGowan Calculated Property |
| Pc | 3801.00 | kPa | Joback Calculated Property |
| Tboil | 454.30 | K | Relay (1.0) Calculated Property |
| Tc | 659.94 | K | Relay (1.0) Calculated Property |
| Tfus | 331.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.348 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [204.90; 256.02] | J/mol×K | [467.27; 672.73] | 
|
| Cp,gas | 204.90 | J/mol×K | 467.27 | Joback Calculated Property |
| Cp,gas | 214.68 | J/mol×K | 501.51 | Joback Calculated Property |
| Cp,gas | 223.94 | J/mol×K | 535.76 | Joback Calculated Property |
| Cp,gas | 232.68 | J/mol×K | 570.00 | Joback Calculated Property |
| Cp,gas | 240.93 | J/mol×K | 604.24 | Joback Calculated Property |
| Cp,gas | 248.71 | J/mol×K | 638.49 | Joback Calculated Property |
| Cp,gas | 256.02 | J/mol×K | 672.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Difluorobenzylamine.
Sources
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