- InChI
- InChI=1S/C31H61NO5Si3/c1-12-14-17-20-26(35-38(3,4)5)23-24-27-28(21-18-15-16-19-22-31(33)37-40(9,10)11)30(36-39(6,7)8)25-29(27)32-34-13-2/h15,18,23-24,26-28,30H,12-14,16-17,19-22,25H2,1-11H3/b18-15-,24-23+,32-29?/t26-,27-,28-,30-/m1/s1
- InChI Key
- PDWLFNBOHCWZAX-ZKXNLKAOSA-N
- Formula
- C31H61NO5Si3
- SMILES
-
CCCCCC(C=CC1C(=NOCC)CC(O[Si](C
)(C)C)C1CC=CCCCC(=O)O[Si](C)(C )C)O[Si](C)(C)C - Molecular Weight1
- 612.08
- 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 | 1.0518 | Relay (1.0) Calculated Property | |
| ΔfG° | -120.65 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1307.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.086 | Crippen Calculated Property | |
| Pc | -589.67 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2762.00; 2762.00] |
|
|
| Inp | 2762.00 | NIST | |
| Inp | 2762.00 | NIST | |
| Tboil | 690.51 | K | Relay (1.0) Calculated Property |
| Tc | 864.36 | K | Relay (1.0) Calculated Property |
| Tfus | 306.21 | K | Relay (1.0) Calculated Property |
| Vc | 1.941 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to PGD2, EO-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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