- InChI
- InChI=1S/C10H13ClO2Si/c1-14(2,3)13-10(12)8-5-4-6-9(11)7-8/h4-7H,1-3H3
- InChI Key
- APACGNWFQWQPTA-UHFFFAOYSA-N
- Formula
- C10H13ClO2Si
- SMILES
- C[Si](C)(C)OC(=O)c1cccc(Cl)c1
- Molecular Weight1
- 228.75
- CAS
- 114521-53-8
- Other Names
-
- Benzoic acid, 3-chloro, trimethylsilyl ester
- Trimethylsilyl 3-chlorobenzoate
- m-Chlorobenzoic acid, trimethylsilyl ester derivative
- 3-Chlorobenzoic acid, tms derivative
- 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 | 0.5037 | Relay (... Calculated Property | |
| ΔfG° | -170.77 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -483.22 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 66.43 | kJ/mol | Relay (... Calculated Property |
| IE | 9.46 | eV | Relay (... Calculated Property |
| log10WS | -3.46 | Relay (... Calculated Property | |
| logPoct/wat | 3.332 | Crippen Calculated Property | |
| Pc | 2031.87 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1385.00; 1385.00] |
|
|
| Inp | 1385.00 | NIST | |
| Inp | 1385.00 | NIST | |
| Tboil | 524.21 | K | Relay (... Calculated Property |
| Tc | 719.12 | K | Relay (... Calculated Property |
| Tfus | 272.23 | K | Relay (... Calculated Property |
| Vc | 0.639 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chlorobenzoic acid, trimethylsilyl ester.
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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