- InChI
- InChI=1S/C17H18F7NO3/c1-2-3-9-28-13(26)12(10-11-7-5-4-6-8-11)25-14(27)15(18,19)16(20,21)17(22,23)24/h4-8,12H,2-3,9-10H2,1H3,(H,25,27)
- InChI Key
- OCQYHUKFEDQUNZ-UHFFFAOYSA-N
- Formula
- C17H18F7NO3
- SMILES
-
CCCCOC(=O)C(Cc1ccccc1)NC(=O)C(
F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 417.32
- 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° | -1426.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1865.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.05 | kJ/mol | Joback Calculated Property |
| log10WS | -5.27 | Crippen Calculated Property | |
| logPoct/wat | 3.890 | Crippen Calculated Property | |
| McVol | 258.010 | ml/mol | McGowan Calculated Property |
| Pc | 1427.22 | kPa | Joback Calculated Property |
| Inp | 1732.00 | NIST | |
| Tboil | 780.13 | K | Joback Calculated Property |
| Tc | 967.18 | K | Joback Calculated Property |
| Tfus | 478.91 | K | Joback Calculated Property |
| Vc | 1.032 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [793.25; 857.00] | J/mol×K | [780.13; 967.18] | 
|
| Cp,gas | 793.25 | J/mol×K | 780.13 | Joback Calculated Property |
| Cp,gas | 805.92 | J/mol×K | 811.30 | Joback Calculated Property |
| Cp,gas | 817.67 | J/mol×K | 842.48 | Joback Calculated Property |
| Cp,gas | 828.58 | J/mol×K | 873.65 | Joback Calculated Property |
| Cp,gas | 838.72 | J/mol×K | 904.83 | Joback Calculated Property |
| Cp,gas | 848.17 | J/mol×K | 936.00 | Joback Calculated Property |
| Cp,gas | 857.00 | J/mol×K | 967.18 | Joback Calculated Property |
Similar Compounds
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Sources
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