![2,8,9-Trioxa-5-aza-1-borabicyclo[3.3.3]undecane](/cid/22-066-4/2-8-9-Trioxa-5-aza-1-borabicyclo-3-3-3-undecane.png "2,8,9-Trioxa-5-aza-1-borabicyclo[3.3.3]undecane")
- InChI
- InChI=1S/C6H12BNO3/c1-4-9-7-10-5-2-8(1)3-6-11-7/h1-6H2
- InChI Key
- NKPKVNRBHXOADG-UHFFFAOYSA-N
- Formula
- C6H12BNO3
- SMILES
- C1CN2CCOB(O1)OCC2
- Molecular Weight1
- 156.97
- CAS
- 283-56-7
- Other Names
-
- Boratran
- Boratrane
- Boric acid, tris(2-aminoethyl) ester
- Boron, ((2,2',2''-nitrilotris(ethanolato))(3-))-
- Ethanol, 2,2',2''-nitrilotri-, cyclic ester with boric acid (H3BO3) (1:1)
- Ethanol, 2,2',2''-nitrilotris-, cyclic ester with boric acid (H3BO3) (1:1)
- Triethanolamine borate
- Atracor T
- Ethanol, 2,2',2''-nitrilotri-, cyclic borate
- NSC 5220
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| IE | 9.80 | eV | NIST |
| log10WS | 2.80 | Crippen Calculated Property | |
| logPoct/wat | -0.650 | Crippen Calculated Property | |
| S°solid,1 bar | [183.20; 216.20] | J/mol×K |
|
| S°solid,1 bar | 183.20 | J/mol×K | NIST |
| S°solid,1 bar | 216.20 | J/mol×K | NIST |
| Ttriple | [499.40; 511.86] | K |
|
| Ttriple | 499.40 ± 1.50 | K | NIST |
| Ttriple | 511.86 ± 0.01 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | [187.20; 226.40] | J/mol×K | [298.15; 320.00] |
|
| Cp,solid | 187.20 | J/mol×K | 298.15 | NIST |
| Cp,solid | 226.40 | J/mol×K | 320.00 | NIST |
| ΔfusH | 8.78 | kJ/mol | 499.40 | NIST |
| ΔsubH | 111.90 ± 0.90 | kJ/mol | 418.00 | NIST |
Similar Compounds
Find more compounds similar to 2,8,9-Trioxa-5-aza-1-borabicyclo[3.3.3]undecane.
Sources
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