- InChI
- InChI=1S/C19H12F15NO6/c1-35(11(36)14(20,21)17(26,27)28)6-10(41-13(38)16(24,25)19(32,33)34)7-3-4-8(9(5-7)39-2)40-12(37)15(22,23)18(29,30)31/h3-5,10H,6H2,1-2H3
- InChI Key
- GDOLGVPSPFQELD-UHFFFAOYSA-N
- Formula
- C19H12F15NO6
- SMILES
-
COc1cc(C(CN(C)C(=O)C(F)(F)C(F)
(F)F)OC(=O)C(F)(F)C(F)(F)F)ccc 1OC(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 635.28
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9572 | Relay (1.0) Calculated Property | |
| ΔfG° | -3296.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4054.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.236 | Crippen Calculated Property | |
| McVol | 313.660 | ml/mol | McGowan Calculated Property |
| Pc | 1002.71 | kPa | Joback Calculated Property |
| Inp | [1648.00; 1648.00] |
|
|
| Inp | 1648.00 | NIST | |
| Inp | 1648.00 | NIST | |
| Tboil | 567.49 | K | Relay (1.0) Calculated Property |
| Tc | 746.41 | K | Relay (1.0) Calculated Property |
| Tfus | 371.45 | K | Relay (1.0) Calculated Property |
| Vc | 1.190 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1018.84; 1068.31] | J/mol×K | [881.30; 1080.72] |
|
| Cp,gas | 1018.84 | J/mol×K | 881.30 | Joback Calculated Property |
| Cp,gas | 1028.88 | J/mol×K | 914.54 | Joback Calculated Property |
| Cp,gas | 1038.03 | J/mol×K | 947.77 | Joback Calculated Property |
| Cp,gas | 1046.43 | J/mol×K | 981.01 | Joback Calculated Property |
| Cp,gas | 1054.20 | J/mol×K | 1014.25 | Joback Calculated Property |
| Cp,gas | 1061.45 | J/mol×K | 1047.48 | Joback Calculated Property |
| Cp,gas | 1068.31 | J/mol×K | 1080.72 | Joback Calculated Property |
Similar Compounds
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Sources
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