- InChI
- InChI=1S/C10H9F2NO3/c1-16-8(14)5-13-10(15)9-6(11)3-2-4-7(9)12/h2-4H,5H2,1H3,(H,13,15)
- InChI Key
- VPICUYOQVIUOAG-UHFFFAOYSA-N
- Formula
- C10H9F2NO3
- SMILES
- COC(=O)CNC(=O)c1c(F)cccc1F
- Molecular Weight1
- 229.18
- 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° | -536.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -732.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.16 | kJ/mol | Joback Calculated Property |
| log10WS | -2.18 | Crippen Calculated Property | |
| logPoct/wat | 0.868 | Crippen Calculated Property | |
| McVol | 150.530 | ml/mol | McGowan Calculated Property |
| Pc | 2937.70 | kPa | Joback Calculated Property |
| Inp | 1627.00 | NIST | |
| Tboil | 643.71 | K | Joback Calculated Property |
| Tc | 846.54 | K | Joback Calculated Property |
| Tfus | 429.85 | K | Joback Calculated Property |
| Vc | 0.589 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [377.25; 431.73] | J/mol×K | [643.71; 846.54] | 
|
| Cp,gas | 377.25 | J/mol×K | 643.71 | Joback Calculated Property |
| Cp,gas | 387.93 | J/mol×K | 677.52 | Joback Calculated Property |
| Cp,gas | 397.96 | J/mol×K | 711.32 | Joback Calculated Property |
| Cp,gas | 407.35 | J/mol×K | 745.13 | Joback Calculated Property |
| Cp,gas | 416.10 | J/mol×K | 778.93 | Joback Calculated Property |
| Cp,gas | 424.23 | J/mol×K | 812.74 | Joback Calculated Property |
| Cp,gas | 431.73 | J/mol×K | 846.54 | Joback Calculated Property |
Similar Compounds
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Sources
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