- InChI
- InChI=1S/C15H3F10NO2/c1-26(14(27)2-4(16)8(20)12(24)9(21)5(2)17)15(28)3-6(18)10(22)13(25)11(23)7(3)19/h1H3
- InChI Key
- JOBHSYHTERJYGG-UHFFFAOYSA-N
- Formula
- C15H3F10NO2
- SMILES
-
CN(C(=O)c1c(F)c(F)c(F)c(F)c1F)
C(=O)c1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 419.17
- 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° | -1891.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2113.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.52 | kJ/mol | Joback Calculated Property |
| log10WS | -6.90 | Crippen Calculated Property | |
| logPoct/wat | 3.990 | Crippen Calculated Property | |
| McVol | 205.510 | ml/mol | McGowan Calculated Property |
| Pc | 1636.45 | kPa | Joback Calculated Property |
| Inp | 1549.00 | NIST | |
| Tboil | 758.64 | K | Joback Calculated Property |
| Tc | 938.71 | K | Joback Calculated Property |
| Tfus | 575.08 | K | Joback Calculated Property |
| Vc | 0.870 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [559.06; 602.28] | J/mol×K | [758.64; 938.71] | 
|
| Cp,gas | 559.06 | J/mol×K | 758.64 | Joback Calculated Property |
| Cp,gas | 567.67 | J/mol×K | 788.65 | Joback Calculated Property |
| Cp,gas | 575.71 | J/mol×K | 818.66 | Joback Calculated Property |
| Cp,gas | 583.18 | J/mol×K | 848.67 | Joback Calculated Property |
| Cp,gas | 590.10 | J/mol×K | 878.68 | Joback Calculated Property |
| Cp,gas | 596.46 | J/mol×K | 908.70 | Joback Calculated Property |
| Cp,gas | 602.28 | J/mol×K | 938.71 | Joback Calculated Property |
Similar Compounds
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Sources
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