- InChI
- InChI=1S/C10H7F3O2/c1-6(14)7-3-2-4-8(5-7)9(15)10(11,12)13/h2-5H,1H3
- InChI Key
- DNFHMFVTDVWIGG-UHFFFAOYSA-N
- Formula
- C10H7F3O2
- SMILES
- CC(=O)c1cccc(C(=O)C(F)(F)F)c1
- Molecular Weight1
- 216.16
- 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° | -703.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -846.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.54 | kJ/mol | Joback Calculated Property |
| log10WS | -3.45 | Crippen Calculated Property | |
| logPoct/wat | 2.634 | Crippen Calculated Property | |
| McVol | 136.450 | ml/mol | McGowan Calculated Property |
| Pc | 2915.53 | kPa | Joback Calculated Property |
| Inp | [1155.00; 1155.00] |
|
|
| Inp | 1155.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Tboil | 562.18 | K | Joback Calculated Property |
| Tc | 767.87 | K | Joback Calculated Property |
| Tfus | 345.45 | K | Joback Calculated Property |
| Vc | 0.542 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [320.97; 376.83] | J/mol×K | [562.18; 767.87] |
|
| Cp,gas | 320.97 | J/mol×K | 562.18 | Joback Calculated Property |
| Cp,gas | 332.18 | J/mol×K | 596.46 | Joback Calculated Property |
| Cp,gas | 342.57 | J/mol×K | 630.74 | Joback Calculated Property |
| Cp,gas | 352.19 | J/mol×K | 665.03 | Joback Calculated Property |
| Cp,gas | 361.08 | J/mol×K | 699.31 | Joback Calculated Property |
| Cp,gas | 369.28 | J/mol×K | 733.59 | Joback Calculated Property |
| Cp,gas | 376.83 | J/mol×K | 767.87 | Joback Calculated Property |
Similar Compounds
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Sources
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