- InChI
- InChI=1S/C6H13BO2/c1-2-3-4-7-8-5-6-9-7/h2-6H2,1H3
- InChI Key
- AHIHJFKMKFKEDJ-UHFFFAOYSA-N
- Formula
- C6H13BO2
- SMILES
- CCCCB1OCCO1
- Molecular Weight1
- 127.98
- CAS
- 10173-39-4
- Other Names
-
- 1-Butaneboronic acid, cyclic ethylene ester
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- Pc : Critical Pressure (kPa).
- 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 | 0.4340 | Relay (1.0) Calculated Property | |
| ΔfG° | -218.89 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -500.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 42.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.321 | Crippen Calculated Property | |
| Pc | 3059.84 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 419.74 | K | Relay (1.0) Calculated Property |
| Tc | 606.39 | K | Relay (1.0) Calculated Property |
| Tfus | 206.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.428 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 40.20 | kJ/mol | 329.00 | NIST |
Similar Compounds
Find more compounds similar to Ethyleneglycol-n-butylboronate.
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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