- InChI
- InChI=1S/C29H47ClFNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-35-29(34)27(23(2)3)32-28(33)24-20-19-21-25(30)26(24)31/h19-21,23,27H,4-18,22H2,1-3H3,(H,32,33)
- InChI Key
- BGUNZGXMCCLXBJ-UHFFFAOYSA-N
- Formula
- C29H47ClFNO3
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(N=C(O
)c1cccc(Cl)c1F)C(C)C - Molecular Weight1
- 512.14
- ΔfH°gas : Enthalpy of formation 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -975.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.77 | kJ/mol | Joback Calculated Property |
| log10WS | -9.90 | Crippen Calculated Property | |
| logPoct/wat | 9.223 | Crippen Calculated Property | |
| McVol | 428.710 | ml/mol | McGowan Calculated Property |
| Pc | 719.14 | kPa | Joback Calculated Property |
| Inp | [3571.00; 3571.00] |
|
|
| Inp | 3571.00 | NIST | |
| Inp | 3571.00 | NIST | |
| Tboil | 1180.41 | K | Joback Calculated Property |
| Tc | 1486.20 | K | Joback Calculated Property |
Similar Compounds
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Sources
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