- InChI
- InChI=1S/C29H41F6NO3Si2/c1-26(2,3)40(7,8)38-23-13-11-19(12-14-23)24(39-41(9,10)27(4,5)6)18-36-25(37)20-15-21(28(30,31)32)17-22(16-20)29(33,34)35/h11-17,24H,18H2,1-10H3,(H,36,37)
- InChI Key
- GNUMIRWFEUSDSJ-UHFFFAOYSA-N
- Formula
- C29H41F6NO3Si2
- SMILES
-
CC(C)(C)[Si](C)(C)Oc1ccc(C(CNC
(=O)c2cc(C(F)(F)F)cc(C(F)(F)F) c2)O[Si](C)(C)C(C)(C)C)cc1 - Molecular Weight1
- 621.80
- 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 | 0.9876 | Relay (... Calculated Property | |
| ΔfG° | -977.65 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -2020.00 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 107.85 | kJ/mol | Relay (... Calculated Property |
| IE | 8.34 | eV | Relay (... Calculated Property |
| log10WS | -7.07 | Relay (... Calculated Property | |
| logPoct/wat | 9.601 | Crippen Calculated Property | |
| Pc | 243.13 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2692.00; 2692.00] |
|
|
| Inp | 2692.00 | NIST | |
| Inp | 2692.00 | NIST | |
| Tboil | 704.56 | K | Relay (... Calculated Property |
| Tc | 998.47 | K | Relay (... Calculated Property |
| Tfus | 417.24 | K | Relay (... Calculated Property |
| Vc | 1.683 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to p-Octopamine, DTFMB-TBDMS.
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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