- InChI
- InChI=1S/C31H57NO4Si2/c1-10-12-18-24-31(3,36-38(7,8)9)25-23-27-21-22-29(32-34-26-13-11-2)28(27)19-16-14-15-17-20-30(33)35-37(4,5)6/h14,16,21-23,25,27-28H,10-13,15,17-20,24,26H2,1-9H3/b16-14-,25-23+,32-29+/t27-,28-,31+/m0/s1
- InChI Key
- PFHNSQOPBICNCF-CWZPGBDYSA-N
- Formula
- C31H57NO4Si2
- SMILES
-
CCCCCC(C)(C=CC1C=CC(=NOCCCC)C1
CC=CCCCC(=O)O[Si](C)(C)C)O[Si] (C)(C)C - Molecular Weight1
- 563.96
- 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 | 1.0490 | Relay (... Calculated Property | |
| ΔfG° | -4.95 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1053.63 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 112.81 | kJ/mol | Relay (... Calculated Property |
| IE | 7.99 | eV | Relay (... Calculated Property |
| log10WS | -6.33 | Relay (... Calculated Property | |
| logPoct/wat | 9.203 | Crippen Calculated Property | |
| Pc | -312.47 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2845.00; 2845.00] |
|
|
| Inp | 2845.00 | NIST | |
| Inp | 2845.00 | NIST | |
| Tboil | 678.23 | K | Relay (... Calculated Property |
| Tc | 858.24 | K | Relay (... Calculated Property |
| Tfus | 303.77 | K | Relay (... Calculated Property |
| Vc | 1.800 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 15(S)-15-Methyl-PGA2, BO-TMS, isomer # 2.
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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