- InChI
- InChI=1S/C17H24O5Si/c1-16(2,3)23(17(4,5)6)21-13-11(14(18)20-7)9-8-10-12(13)15(19)22-23/h8-10H,1-7H3
- InChI Key
- QNRVGUQFEJCZGN-UHFFFAOYSA-N
- Formula
- C17H24O5Si
- SMILES
-
COC(=O)c1cccc2c1O[Si](C(C)(C)C
)(C(C)(C)C)OC2=O - Molecular Weight1
- 336.45
- 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 | 0.7131 | Relay (... Calculated Property | |
| ΔfG° | -429.55 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -961.06 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 79.74 | kJ/mol | Relay (... Calculated Property |
| IE | 8.72 | eV | Relay (... Calculated Property |
| log10WS | -4.44 | Relay (... Calculated Property | |
| logPoct/wat | 4.065 | Crippen Calculated Property | |
| Pc | 1385.02 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2000.00 | NIST | |
| Tboil | 611.49 | K | Relay (... Calculated Property |
| Tc | 870.21 | K | Relay (... Calculated Property |
| Tfus | 437.43 | K | Relay (... Calculated Property |
| Vc | 0.963 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-hydroxy-3-methoxycarbonyl, DTBS.
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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