- InChI
- InChI=1S/C8H18NO/c1-7(2,3)9(10)8(4,5)6/h1-6H3
- InChI Key
- CKJMHSMEPSUICM-UHFFFAOYSA-N
- Formula
- C8H18NO
- SMILES
- CC(C)(C)N([O])C(C)(C)C
- Molecular Weight1
- 144.23
- CAS
- 2406-25-9
- Other Names
-
- di-t-Butylnitroxyl
- (tert-C4H9)2NO
- di-tert-Butylnitroxide
- di-tert-Butyl nitroxyl
- Nitroxide, di-tert-butyl
- Dtbn
- di(tert-butyl)aminyl oxide
- 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.
- McVol : McGowan's characteristic volume (ml/mol).
- 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 | 0.3907 | Relay (1.0) Calculated Property | |
| ΔfG° | 79.66 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -158.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 40.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.77 | eV | NIST |
| log10WS | -1.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.231 | Crippen Calculated Property | |
| McVol | 137.280 | ml/mol | McGowan Calculated Property |
| Pc | 2600.08 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 431.13 | K | Relay (1.0) Calculated Property |
| Tc | 613.83 | K | Relay (1.0) Calculated Property |
| Tfus | 283.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.527 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Nitroxide, bis(1,1-dimethylethyl).
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
- McGowan Method
- NIST Webbook
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