- InChI
- InChI=1S/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3
- InChI Key
- JQJPBYFTQAANLE-UHFFFAOYSA-N
- Formula
- C4H9NO2
- SMILES
- CCCCON=O
- Molecular Weight1
- 103.12
- CAS
- 544-16-1
- Other Names
-
- Nitrous acid, butyl ester
- Butyl nitrite
- n-C4H9ONO
- Nitrous acid, n-butyl ester
- NBN
- NCI-C56553
- UN 2351
- Butyl ester of nitrous acid
- NSC 8426
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (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).
- 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 | 0.5825 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -2678.00 ± 0.80 | kJ/mol | NIST |
| ΔfG° | -0.46 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -146.00 ± 4.20 | kJ/mol | NIST |
| ΔfH°liquid | -182.00 | kJ/mol | NIST |
| ΔvapH° | 37.00 | kJ/mol | NIST |
| IE | 10.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.485 | Crippen Calculated Property | |
| McVol | 84.640 | ml/mol | McGowan Calculated Property |
| Pc | 3731.66 | kPa | Joback Calculated Property |
| Inp | [575.00; 617.00] |
|
|
| Inp | 590.00 | NIST | |
| Inp | 617.00 | NIST | |
| Inp | 617.00 | NIST | |
| Inp | 608.00 | NIST | |
| Inp | 575.00 | NIST | |
| Inp | 608.00 | NIST | |
| Tboil | [351.00; 351.20] | K |
|
| Tboil | 351.20 | K | NIST |
| Tboil | 351.00 ± 1.00 | K | NIST |
| Tc | 533.38 | K | Relay (1.0) Calculated Property |
| Tfus | 198.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.342 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to n-Butyl 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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