- InChI
- InChI=1S/C11H8F5NO3/c1-20-8(18)6-3-2-4-7(5-6)17-9(19)10(12,13)11(14,15)16/h2-5H,1H3,(H,17,19)
- InChI Key
- XDEMMFMXYWTUFR-UHFFFAOYSA-N
- Formula
- C11H8F5NO3
- SMILES
-
COC(=O)c1cccc(NC(=O)C(F)(F)C(F
)(F)F)c1 - Molecular Weight1
- 297.18
- 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° | -1097.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1347.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.68 | kJ/mol | Joback Calculated Property |
| log10WS | -3.31 | Crippen Calculated Property | |
| logPoct/wat | 2.609 | Crippen Calculated Property | |
| McVol | 169.930 | ml/mol | McGowan Calculated Property |
| Pc | 2443.48 | kPa | Joback Calculated Property |
| Inp | 1506.00 | NIST | |
| Tboil | 652.96 | K | Joback Calculated Property |
| Tc | 847.74 | K | Joback Calculated Property |
| Tfus | 435.21 | K | Joback Calculated Property |
| Vc | 0.676 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [458.34; 511.08] | J/mol×K | [652.96; 847.74] | 
|
| Cp,gas | 458.34 | J/mol×K | 652.96 | Joback Calculated Property |
| Cp,gas | 469.04 | J/mol×K | 685.42 | Joback Calculated Property |
| Cp,gas | 478.91 | J/mol×K | 717.89 | Joback Calculated Property |
| Cp,gas | 488.01 | J/mol×K | 750.35 | Joback Calculated Property |
| Cp,gas | 496.37 | J/mol×K | 782.81 | Joback Calculated Property |
| Cp,gas | 504.04 | J/mol×K | 815.28 | Joback Calculated Property |
| Cp,gas | 511.08 | J/mol×K | 847.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 3-(N-pentafluoropropionylamino)benzoate.
Sources
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