![[13C] 16«alpha», 17-H2-16, 17-(OH)2-GA4 methyl ester TMS ether](/cid/63-252-2/13C-16-alpha-17-H2-16-17-OH-2-GA4-methyl-ester-TMS-ether.png "[13C] 16«alpha», 17-H2-16, 17-(OH)2-GA4 methyl ester TMS ether")
- InChI
- InChI=1S/C29H52O7Si3/c1-26-21(35-38(6,7)8)14-15-29(34-25(26)31)20-13-12-19-16-27(20,22(23(26)29)24(30)32-2)17-28(19,36-39(9,10)11)18-33-37(3,4)5/h19-23H,12-18H2,1-11H3/t19?,20-,21+,22-,23-,26-,27-,28+,29-/m0/s1
- InChI Key
- KTOFHXWALBMWHS-GZKFZNCGSA-N
- Formula
- C29H52O7Si3
- SMILES
-
COC(=O)C1C2C3(CCC(O[Si](C)(C)C
)C2(C)C(=O)O3)C2CCC3CC12CC3(CO [Si](C)(C)C)O[Si](C)(C)C - Molecular Weight1
- 596.98
- Other Names
-
- 16«alpha»,17-H2 (OH)2 GA4, MeTMS
- 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 | 0.8042 | Relay (... Calculated Property | |
| ΔfG° | -521.63 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1576.93 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 114.15 | kJ/mol | Relay (... Calculated Property |
| IE | 9.08 | eV | Relay (... Calculated Property |
| log10WS | -4.37 | Relay (... Calculated Property | |
| logPoct/wat | 5.969 | Crippen Calculated Property | |
| Pc | -301.70 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2891.00; 2932.00] |
|
|
| Inp | 2926.00 | NIST | |
| Inp | 2932.00 | NIST | |
| Inp | 2932.00 | NIST | |
| Inp | 2932.00 | NIST | |
| Inp | 2923.00 | NIST | |
| Inp | 2925.00 | NIST | |
| Inp | 2929.00 | NIST | |
| Inp | 2929.00 | NIST | |
| Inp | Outlier 2891.00 | NIST | |
| Tboil | 708.64 | K | Relay (... Calculated Property |
| Tc | 1001.92 | K | Relay (... Calculated Property |
| Tfus | 366.30 | K | Relay (... Calculated Property |
| Vc | 1.838 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to [13C] 16«alpha», 17-H2-16, 17-(OH)2-GA4 methyl ester TMS ether.
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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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.