- InChI
- InChI=1S/C15H11F5O2Si/c1-23(2,22-15(21)8-6-4-3-5-7-8)14-12(19)10(17)9(16)11(18)13(14)20/h3-7H,1-2H3
- InChI Key
- XFSCDBAEBTZUMW-UHFFFAOYSA-N
- Formula
- C15H11F5O2Si
- SMILES
-
C[Si](C)(OC(=O)c1ccccc1)c1c(F)
c(F)c(F)c(F)c1F - Molecular Weight1
- 346.32
- 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 | 0.6556 | Relay (1.0) Calculated Property | |
| ΔfG° | -823.62 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1079.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 79.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.651 | Crippen Calculated Property | |
| Pc | 1681.23 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1690.00 | NIST | |
| Tboil | 559.38 | K | Relay (1.0) Calculated Property |
| Tc | 776.07 | K | Relay (1.0) Calculated Property |
| Tfus | 309.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.795 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid DMPFPS.
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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