- InChI
- InChI=1S/C37H54N4O2Si3/c1-15-27-24(6)30-18-34-22(4)23(5)35-20-32-28(16-2)25(7)31(39-32)19-37-29(17-3)26(8)36(21-33(27)38-30)41(37)46(40(34)35,42-44(9,10)11)43-45(12,13)14/h18-21,38-39H,15-17H2,1-14H3/b30-18-,31-19-,32-20-,33-21-,34-18-,35-20-,36-21-,37-19-
- InChI Key
- RGSGHBLWKLLAPI-XGRMMTBOSA-N
- Formula
- C37H54N4O2Si3
- SMILES
-
CCc1c2[nH]c(c1C)C=c1c(CC)c(C)c
3n1[Si](O[Si](C)(C)C)(O[Si](C) (C)C)n1c(c(C)c(C)c1=C2)=Cc1[nH ]c(c(CC)c1C)C=3 - Molecular Weight1
- 671.11
- 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.
- 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 | 1.2192 | Relay (1.0) Calculated Property | |
| ΔfG° | 478.38 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -427.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 165.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 5.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.688 | Crippen Calculated Property | |
| Inp | 3300.00 | NIST | |
| Tboil | 837.23 | K | Relay (1.0) Calculated Property |
| Tc | 1309.61 | K | Relay (1.0) Calculated Property |
| Tfus | 548.20 | K | Relay (1.0) Calculated Property |
| Vc | 2.102 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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