- InChI
- InChI=1S/C23H31F7N2O4Si/c1-20(2,3)32(19(34)21(24,25)22(26,27)23(28,29)30)12-14(36-37(4,5)6)13-35-17-9-7-8-16-15(17)10-11-18(33)31-16/h7-9,14H,10-13H2,1-6H3,(H,31,33)
- InChI Key
- GIPYLOMCALTREM-UHFFFAOYSA-N
- Formula
- C23H31F7N2O4Si
- SMILES
-
CC(C)(C)N(CC(COc1cccc2c1CCC(=O
)N2)O[Si](C)(C)C)C(=O)C(F)(F)C (F)(F)C(F)(F)F - Molecular Weight1
- 560.58
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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.
- 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 | 0.9534 | Relay (1.0) Calculated Property | |
| ΔfG° | -1469.03 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -2304.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.630 | Crippen Calculated Property | |
| Pc | 439.39 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3159.00 | NIST | |
| Tboil | 695.45 | K | Relay (1.0) Calculated Property |
| Tc | 892.45 | K | Relay (1.0) Calculated Property |
| Tfus | 369.21 | K | Relay (1.0) Calculated Property |
| Vc | 1.390 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Carteolol, PFB-TMS.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- NIST Webbook
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