- InChI
- InChI=1S/C8H17BS2/c1-2-3-4-5-6-9-10-7-8-11-9/h2-8H2,1H3
- InChI Key
- ORLRWYSMQRMPIM-UHFFFAOYSA-N
- Formula
- C8H17BS2
- SMILES
- CCCCCCB1SCCS1
- Molecular Weight1
- 188.16
- 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 | 0.4426 | Relay (... Calculated Property | |
| ΔfG° | -9.99 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -178.81 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 65.98 | kJ/mol | Relay (... Calculated Property |
| IE | 8.60 | eV | Relay (... Calculated Property |
| log10WS | -4.36 | Relay (... Calculated Property | |
| logPoct/wat | 3.535 | Crippen Calculated Property | |
| Pc | 2342.11 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1117.00; 1123.00] |
|
|
| Inp | 1123.00 | NIST | |
| Inp | 1117.00 | NIST | |
| Tboil | 535.43 | K | Relay (... Calculated Property |
| Tc | 734.99 | K | Relay (... Calculated Property |
| Tfus | 251.75 | K | Relay (... Calculated Property |
| Vc | 0.576 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Ethanediol, hexylboronate.
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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