- InChI
- InChI=1S/C25H44N2O4Si/c1-7-8-11-14-22(26-29-2)19-17-21-18-20-24(27-30-3)23(21)15-12-9-10-13-16-25(28)31-32(4,5)6/h17-21,23H,7-16H2,1-6H3/b19-17+,26-22?,27-24?/t21-,23+/m1/s1
- InChI Key
- SZJSHSSEGPVEOP-UUTDRFNZSA-N
- Formula
- C25H44N2O4Si
- SMILES
-
CCCCCC(C=CC1C=CC(=NOC)C1CCCCCC
C(=O)O[Si](C)(C)C)=NOC - Molecular Weight1
- 464.71
- 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 | 1.0682 | Relay (... Calculated Property | |
| ΔfG° | 75.88 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -683.64 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 109.64 | kJ/mol | Relay (... Calculated Property |
| IE | 7.95 | eV | Relay (... Calculated Property |
| log10WS | -5.47 | Relay (... Calculated Property | |
| logPoct/wat | 6.649 | Crippen Calculated Property | |
| Pc | 108.97 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2744.00 | NIST | |
| Tboil | 647.99 | K | Relay (... Calculated Property |
| Tc | 841.76 | K | Relay (... Calculated Property |
| Tfus | 348.09 | K | Relay (... Calculated Property |
| Vc | 1.430 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 15-Keto-PGA1A, MO-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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