- InChI
- InChI=1S/C22H17F10NO2/c1-2-3-4-5-6-7-8-33(21(34)9-11(23)15(27)19(31)16(28)12(9)24)22(35)10-13(25)17(29)20(32)18(30)14(10)26/h2-8H2,1H3
- InChI Key
- JRZDSJLLLOBONP-UHFFFAOYSA-N
- Formula
- C22H17F10NO2
- SMILES
-
CCCCCCCCN(C(=O)c1c(F)c(F)c(F)c
(F)c1F)C(=O)c1c(F)c(F)c(F)c(F) c1F - Molecular Weight1
- 517.36
- 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° | -1832.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2257.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 73.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.10 | kJ/mol | Joback Calculated Property |
| log10WS | -9.83 | Crippen Calculated Property | |
| logPoct/wat | 6.721 | Crippen Calculated Property | |
| McVol | 304.140 | ml/mol | McGowan Calculated Property |
| Pc | 1011.66 | kPa | Joback Calculated Property |
| Inp | 2056.00 | NIST | |
| Tboil | 918.80 | K | Joback Calculated Property |
| Tc | 1127.01 | K | Joback Calculated Property |
| Tfus | 653.97 | K | Joback Calculated Property |
| Vc | 1.262 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [946.26; 1005.52] | J/mol×K | [918.80; 1127.01] | 
|
| Cp,gas | 946.26 | J/mol×K | 918.80 | Joback Calculated Property |
| Cp,gas | 958.67 | J/mol×K | 953.50 | Joback Calculated Property |
| Cp,gas | 970.02 | J/mol×K | 988.20 | Joback Calculated Property |
| Cp,gas | 980.35 | J/mol×K | 1022.91 | Joback Calculated Property |
| Cp,gas | 989.69 | J/mol×K | 1057.61 | Joback Calculated Property |
| Cp,gas | 998.07 | J/mol×K | 1092.31 | Joback Calculated Property |
| Cp,gas | 1005.52 | J/mol×K | 1127.01 | Joback Calculated Property |
Similar Compounds
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Sources
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