![[13C]GA5 methyl ester TMS ether](/cid/28-373-7/13C-GA5-methyl-ester-TMS-ether.png "[13C]GA5 methyl ester TMS ether")
- InChI
- InChI=1S/C23H32O5Si/c1-14-12-21-13-22(14,28-29(4,5)6)11-8-15(21)23-10-7-9-20(2,19(25)27-23)17(23)16(21)18(24)26-3/h7,9,15-17H,1,8,10-13H2,2-6H3/t15-,16-,17-,20-,21+,22+,23-/m0/s1
- InChI Key
- JKQCNZHRNGPPQX-HHBZDXFNSA-N
- Formula
- C23H32O5Si
- SMILES
-
C=C1CC23CC1(O[Si](C)(C)C)CCC2C
12CC=CC(C)(C(=O)O1)C2C3C(=O)OC - Molecular Weight1
- 416.58
- Other Names
-
- [14C] GA5 methyl ester TMS ether
- 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 | 0.5698 | Relay (... Calculated Property | |
| ΔfG° | -275.45 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -895.62 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 107.94 | kJ/mol | Relay (... Calculated Property |
| IE | 8.98 | eV | Relay (... Calculated Property |
| log10WS | -3.35 | Relay (... Calculated Property | |
| logPoct/wat | 4.004 | Crippen Calculated Property | |
| Pc | 680.02 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2475.00; 2483.00] |
|
|
| Inp | 2475.00 | NIST | |
| Inp | 2483.00 | NIST | |
| Inp | 2475.00 | NIST | |
| Tboil | 648.73 | K | Relay (... Calculated Property |
| Tc | 938.85 | K | Relay (... Calculated Property |
| Tfus | 369.47 | K | Relay (... Calculated Property |
| Vc | 1.197 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to [13C]GA5 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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