- InChI
- InChI=1S/C23H29F6NO3Si2/c1-34(2,3)32-19-9-7-15(8-10-19)20(33-35(4,5)6)14-30-21(31)16-11-17(22(24,25)26)13-18(12-16)23(27,28)29/h7-13,20H,14H2,1-6H3,(H,30,31)
- InChI Key
- HIZOWXWPEDBLRZ-UHFFFAOYSA-N
- Formula
- C23H29F6NO3Si2
- SMILES
-
C[Si](C)(C)Oc1ccc(C(CNC(=O)c2c
c(C(F)(F)F)cc(C(F)(F)F)c2)O[Si ](C)(C)C)cc1 - Molecular Weight1
- 537.64
- 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 | 0.9105 | Relay (1.0) Calculated Property | |
| ΔfG° | -1055.75 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1926.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 104.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.260 | Crippen Calculated Property | |
| Pc | 143.86 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2256.00; 2256.00] |
|
|
| Inp | 2256.00 | NIST | |
| Inp | 2256.00 | NIST | |
| Inp | 2256.00 | NIST | |
| Tboil | 666.13 | K | Relay (1.0) Calculated Property |
| Tc | 921.15 | K | Relay (1.0) Calculated Property |
| Tfus | 410.95 | K | Relay (1.0) Calculated Property |
| Vc | 1.390 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to p-Octopamine, DTFMB-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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