- InChI
- InChI=1S/C32H63NO5Si3/c1-13-15-20-24-32(3,38-41(10,11)12)25-23-27-28(21-18-16-17-19-22-31(34)37-40(7,8)9)30(36-39(4,5)6)26-29(27)33-35-14-2/h16,18,23,25,27-28,30H,13-15,17,19-22,24,26H2,1-12H3/b18-16-,25-23+,33-29?/t27-,28-,30-,32-/m1/s1
- InChI Key
- ZVCQJBNGECDLRP-MVTDFAKDSA-N
- Formula
- C32H63NO5Si3
- SMILES
-
CCCCCC(C)(C=CC1C(=NOCC)CC(O[Si
](C)(C)C)C1CC=CCCCC(=O)O[Si](C )(C)C)O[Si](C)(C)C - Molecular Weight1
- 626.10
- 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 | 1.0635 | Relay (1.0) Calculated Property | |
| ΔfG° | -124.71 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1332.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.476 | Crippen Calculated Property | |
| Inp | [2741.00; 2741.00] |
|
|
| Inp | 2741.00 | NIST | |
| Inp | 2741.00 | NIST | |
| Tboil | 693.02 | K | Relay (1.0) Calculated Property |
| Tc | 868.07 | K | Relay (1.0) Calculated Property |
| Tfus | 303.33 | K | Relay (1.0) Calculated Property |
| Vc | 2.006 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 15(S)-15-Methyl-PGD2, EO-TMS, isomer # 1.
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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