- InChI
- InChI=1S/C11H10F3NO3/c1-7-4-3-5-8(6-7)18-10(17)15(2)9(16)11(12,13)14/h3-6H,1-2H3
- InChI Key
- HHPDTFUGBDDVIV-UHFFFAOYSA-N
- Formula
- C11H10F3NO3
- SMILES
-
Cc1cccc(OC(=O)N(C)C(=O)C(F)(F)
F)c1 - Molecular Weight1
- 261.20
- 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° | -689.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -932.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.22 | kJ/mol | Joback Calculated Property |
| log10WS | -3.08 | Crippen Calculated Property | |
| logPoct/wat | 2.515 | Crippen Calculated Property | |
| McVol | 166.390 | ml/mol | McGowan Calculated Property |
| Pc | 2584.59 | kPa | Joback Calculated Property |
| Inp | [1392.00; 1399.00] |
|
|
| Inp | 1392.00 | NIST | |
| Inp | 1399.00 | NIST | |
| Inp | 1392.00 | NIST | |
| Inp | 1399.00 | NIST | |
| Tboil | 619.92 | K | Joback Calculated Property |
| Tc | 818.20 | K | Joback Calculated Property |
| Tfus | 411.42 | K | Joback Calculated Property |
| Vc | 0.634 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [426.97; 487.66] | J/mol×K | [619.92; 818.20] |
|
| Cp,gas | 426.97 | J/mol×K | 619.92 | Joback Calculated Property |
| Cp,gas | 439.06 | J/mol×K | 652.97 | Joback Calculated Property |
| Cp,gas | 450.31 | J/mol×K | 686.01 | Joback Calculated Property |
| Cp,gas | 460.75 | J/mol×K | 719.06 | Joback Calculated Property |
| Cp,gas | 470.44 | J/mol×K | 752.11 | Joback Calculated Property |
| Cp,gas | 479.39 | J/mol×K | 785.16 | Joback Calculated Property |
| Cp,gas | 487.66 | J/mol×K | 818.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to MTMC, TFA.
Sources
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