- InChI
- InChI=1S/C10H8F3NO3/c1-5-4-6(8(15)16)2-3-7(5)14-9(17)10(11,12)13/h2-4H,1H3,(H,14,17)(H,15,16)
- InChI Key
- DMBNKOMLHPNNJZ-UHFFFAOYSA-N
- Formula
- C10H8F3NO3
- SMILES
-
Cc1cc(C(=O)O)ccc1NC(=O)C(F)(F)
F - Molecular Weight1
- 247.17
- 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).
- 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° | -760.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -957.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.31 | kJ/mol | Joback Calculated Property |
| log10WS | -2.87 | Crippen Calculated Property | |
| logPoct/wat | 2.194 | Crippen Calculated Property | |
| McVol | 152.300 | ml/mol | McGowan Calculated Property |
| Pc | 3220.98 | kPa | Joback Calculated Property |
| Tboil | 709.51 | K | Joback Calculated Property |
| Tc | 905.06 | K | Joback Calculated Property |
| Tfus | 471.45 | K | Joback Calculated Property |
| Vc | 0.597 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [410.27; 452.56] | J/mol×K | [709.51; 905.06] | 
|
| Cp,gas | 410.27 | J/mol×K | 709.51 | Joback Calculated Property |
| Cp,gas | 418.75 | J/mol×K | 742.10 | Joback Calculated Property |
| Cp,gas | 426.60 | J/mol×K | 774.69 | Joback Calculated Property |
| Cp,gas | 433.88 | J/mol×K | 807.29 | Joback Calculated Property |
| Cp,gas | 440.60 | J/mol×K | 839.88 | Joback Calculated Property |
| Cp,gas | 446.82 | J/mol×K | 872.47 | Joback Calculated Property |
| Cp,gas | 452.56 | J/mol×K | 905.06 | Joback Calculated Property |
Similar Compounds
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Sources
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