- InChI
- InChI=1S/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3
- InChI Key
- APNSGVMLAYLYCT-UHFFFAOYSA-N
- Formula
- C4H9NO2
- SMILES
- CC(C)CON=O
- Molecular Weight1
- 103.12
- CAS
- 542-56-3
- Other Names
-
- (CH3)2CHCH2ONO
- Nitrous acid, 2-methylpropyl ester
- Nitrous acid, isobutyl ester
- IBN
- NCI-C61052
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -2675.00 ± 0.80 | kJ/mol | NIST |
| ΔfH°gas | -151.00 ± 4.20 | kJ/mol | NIST |
| ΔfH°liquid | -186.00 | kJ/mol | NIST |
| ΔvapH° | 35.00 | kJ/mol | NIST |
| log10WS | -1.53 | Crippen Calculated Property | |
| logPoct/wat | 1.340 | Crippen Calculated Property | |
| McVol | 84.640 | ml/mol | McGowan Calculated Property |
| Pc | 3768.41 | kPa | Joback Calculated Property |
| Inp | [544.00; 576.00] |
|
|
| Inp | 544.00 | NIST | |
| Inp | 576.00 | NIST | |
| Inp | 576.00 | NIST | |
| I | [725.00; 725.00] |
|
|
| I | 725.00 | NIST | |
| I | 725.00 | NIST | |
| Tboil | [340.00; 340.65] | K |
|
| Tboil | 340.20 | K | NIST |
| Tboil | 340.00 ± 1.00 | K | NIST |
| Tboil | 340.30 ± 0.50 | K | NIST |
| Tboil | 340.65 ± 2.00 | K | NIST |
| Tc | 548.96 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyl nitrite.
Sources
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