- InChI
- InChI=1S/C29H52N2O4Si2/c1-28-16-15-21(30-32-3)17-20(28)11-12-22-23-13-14-24(25(31-33-4)19-34-36(5,6)7)29(23,2)18-26(27(22)28)35-37(8,9)10/h17,22-24,26-27H,11-16,18-19H2,1-10H3/t22?,23?,24-,26?,27?,28+,29+/m0/s1
- InChI Key
- FFEVUTYFVPQKAH-SSYBQPKYSA-N
- Formula
- C29H52N2O4Si2
- SMILES
-
CON=C1C=C2CCC3C(C(O[Si](C)(C)C
)CC4(C)C(C(CO[Si](C)(C)C)=NOC) CCC34)C2(C)CC1 - Molecular Weight1
- 548.91
- 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 | 0.8449 | Relay (... Calculated Property | |
| ΔfG° | 182.85 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -718.27 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 116.48 | kJ/mol | Relay (... Calculated Property |
| IE | 8.06 | eV | Relay (... Calculated Property |
| log10WS | -5.42 | Relay (... Calculated Property | |
| logPoct/wat | 7.252 | Crippen Calculated Property | |
| Pc | -249.27 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2920.00 | NIST | |
| Tboil | 713.23 | K | Relay (... Calculated Property |
| Tc | 976.70 | K | Relay (... Calculated Property |
| Tfus | 377.86 | K | Relay (... Calculated Property |
| Vc | 1.660 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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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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