- InChI
- InChI=1S/C10H14FNO/c1-7(12)5-8-3-4-10(13-2)9(11)6-8/h3-4,6-7H,5,12H2,1-2H3
- InChI Key
- WYEYFMJGWCHRCH-UHFFFAOYSA-N
- Formula
- C10H14FNO
- SMILES
- COc1ccc(CC(C)N)cc1F
- Molecular Weight1
- 183.22
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -109.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -335.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.30 | kJ/mol | Joback Calculated Property |
| log10WS | -2.69 | Crippen Calculated Property | |
| logPoct/wat | 1.724 | Crippen Calculated Property | |
| McVol | 145.620 | ml/mol | McGowan Calculated Property |
| Pc | 2847.48 | kPa | Joback Calculated Property |
| Inp | [1363.00; 1363.00] |
|
|
| Inp | 1363.00 | NIST | |
| Inp | 1363.00 | NIST | |
| Tboil | 558.62 | K | Joback Calculated Property |
| Tc | 768.15 | K | Joback Calculated Property |
| Tfus | 345.00 | K | Joback Calculated Property |
| Vc | 0.546 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [348.90; 420.55] | J/mol×K | [558.62; 768.15] |
|
| Cp,gas | 348.90 | J/mol×K | 558.62 | Joback Calculated Property |
| Cp,gas | 362.57 | J/mol×K | 593.54 | Joback Calculated Property |
| Cp,gas | 375.53 | J/mol×K | 628.46 | Joback Calculated Property |
| Cp,gas | 387.80 | J/mol×K | 663.39 | Joback Calculated Property |
| Cp,gas | 399.38 | J/mol×K | 698.31 | Joback Calculated Property |
| Cp,gas | 410.30 | J/mol×K | 733.23 | Joback Calculated Property |
| Cp,gas | 420.55 | J/mol×K | 768.15 | Joback Calculated Property |
Similar Compounds
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Sources
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