- InChI
- InChI=1S/C4H9NO2/c1-4(2,3)7-5-6/h1-3H3
- InChI Key
- IOGXOCVLYRDXLW-UHFFFAOYSA-N
- Formula
- C4H9NO2
- SMILES
- CC(C)(C)ON=O
- Molecular Weight1
- 103.12
- CAS
- 540-80-7
- Other Names
-
- (CH3)3CONO
- tert-Butyl nitrite
- Nitrous acid, 1,1-dimethylethyl ester
- Nitrous acid, t-butyl ester
- «alpha»,«alpha»-Dimethylethyl nitrite
- tert.-Butyl nitrite
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 863.90 | kJ/mol | NIST |
| BasG | 831.40 | kJ/mol | NIST |
| ΔcH°liquid | -2654.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°gas | -172.00 ± 4.20 | kJ/mol | NIST |
| ΔfH°liquid | -206.00 | kJ/mol | NIST |
| ΔvapH° | 34.00 | kJ/mol | NIST |
| log10WS | -1.88 | Crippen Calculated Property | |
| logPoct/wat | 1.483 | Crippen Calculated Property | |
| McVol | 84.640 | ml/mol | McGowan Calculated Property |
| Pc | 3819.82 | kPa | Joback Calculated Property |
| Inp | 533.00 | NIST | |
| I | 720.00 | NIST | |
| Tboil | [335.00; 336.20] | K |
|
| Tboil | 336.20 | K | NIST |
| Tboil | 336.00 | K | NIST |
| Tboil | 335.00 ± 1.00 | K | NIST |
| Tc | 553.55 | K | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 30.80 | kJ/mol | 302.00 | NIST |
Similar Compounds
Find more compounds similar to t-Butyl nitrite.
Sources
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