- InChI
- InChI=1S/C5H11NO2/c1-3-5(4-2)8-6-7/h5H,3-4H2,1-2H3
- InChI Key
- VBLYLPOHOKDRGI-UHFFFAOYSA-N
- Formula
- C5H11NO2
- SMILES
- CCC(CC)ON=O
- Molecular Weight1
- 117.15
- ΔfH°gas : 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 |
|---|---|---|---|
| ΔfH°gas | -452.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.84 | kJ/mol | Joback Calculated Property |
| log10WS | -2.30 | Crippen Calculated Property | |
| logPoct/wat | 1.873 | Crippen Calculated Property | |
| McVol | 98.730 | ml/mol | McGowan Calculated Property |
| Pc | 3360.64 | kPa | Joback Calculated Property |
| Inp | [663.00; 663.00] |
|
|
| Inp | 663.00 | NIST | |
| Inp | 663.00 | NIST | |
| I | [800.00; 800.00] |
|
|
| I | 800.00 | NIST | |
| I | 800.00 | NIST | |
| Tboil | 399.18 | K | Joback Calculated Property |
| Tc | 571.22 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentyl nitrite.
Sources
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