- InChI
- InChI=1S/C19H30O5Si/c1-18(2,3)25(19(4,5)6)23-12-14(24-25)11-13-9-8-10-15(16(13)20)17(21)22-7/h8-10,14,20H,11-12H2,1-7H3
- InChI Key
- JFTRHZPZIPLBMY-UHFFFAOYSA-N
- Formula
- C19H30O5Si
- SMILES
-
COC(=O)c1cccc(CC2CO[Si](C(C)(C
)C)(C(C)(C)C)O2)c1O - Molecular Weight1
- 366.52
- 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 | 0.7996 | Relay (1.0) Calculated Property | |
| ΔfG° | -322.66 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -960.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 95.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.179 | Crippen Calculated Property | |
| Pc | 1598.58 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2295.00 | NIST | |
| Tboil | 612.87 | K | Relay (1.0) Calculated Property |
| Tc | 880.64 | K | Relay (1.0) Calculated Property |
| Tfus | 369.16 | K | Relay (1.0) Calculated Property |
| Vc | 1.067 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-hydroxy-3-(2,3-dioxypropyl), methyl ester, DTBS #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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