- InChI
- InChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3
- InChI Key
- OWFXIOWLTKNBAP-UHFFFAOYSA-N
- Formula
- C5H11NO2
- SMILES
- CC(C)CCON=O
- Molecular Weight1
- 117.15
- CAS
- 110-46-3
- Other Names
-
- Nitrous acid, 3-methylbutyl ester
- Isopentyl alcohol, nitrite
- Aspiral
- Isopentyl nitrite
- Nitramyl
- Vaporole
- 3-Methylbutanol nitrite
- 3-Methylbutyl nitrite
- Amilnitrite
- Nitrous acid, isopentyl ester
- NCI-C50179
- IPN
- NSC 7903
- ''amyl nitrite'', mixed isomers
- Amyl Nitrite
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5796 | Relay (1.0) Calculated Property | |
| ΔfG° | 1.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -164.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 38.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.731 | Crippen Calculated Property | |
| McVol | 98.730 | ml/mol | McGowan Calculated Property |
| Pc | 3360.64 | kPa | Joback Calculated Property |
| Inp | [653.00; 684.00] |
|
|
| Inp | 653.00 | NIST | |
| Inp | 684.00 | NIST | |
| Inp | 684.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 684.00 | NIST | |
| Inp | 653.00 | NIST | |
| Tboil | [369.00; 372.40] | K |
|
| Tboil | 372.40 | K | NIST |
| Tboil | 369.00 ± 1.00 | K | NIST |
| Tc | 550.33 | K | Relay (1.0) Calculated Property |
| Tfus | 199.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.376 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Isoamyl nitrite.
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
- Joback Method
- McGowan Method
- NIST Webbook
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