- InChI
- InChI=1S/C8H18N2O2/c1-2-3-6-10(9-12)7-4-5-8-11/h11H,2-8H2,1H3
- InChI Key
- DIKPQFXYECAYPC-UHFFFAOYSA-N
- Formula
- C8H18N2O2
- SMILES
- CCCCN(CCCCO)N=O
- Molecular Weight1
- 174.24
- CAS
- 3817-11-6
- Other Names
-
- 1-Butanol, 4-(butylnitrosamino)-
- 4-(Butylnitrosamino)-1-butanol
- 4-(n-Butylnitrosamino)-1-butanol
- 4-Hydroxybutylbutylnitrosamine
- BBN
- Butanol (4)-butyl-nitrosamine
- Butyl(4-hydroxybutyl)nitrosamine
- Butyl-butanol(4)-nitrosamin
- Butylbutanolnitrosamine
- Dibutylamine, 4-hydroxy-N-nitroso-
- N-Butyl-N-(4-hydroxybutyl)nitrosamine
- N-Nitroso-n-butyl-(4-hydroxybutyl)amine
- n-Butyl-(4-hydroxybutyl)nitrosamine
- 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).
- 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 | 0.8607 | Relay (1.0) Calculated Property | |
| ΔfG° | 48.71 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -251.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 75.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.542 | Crippen Calculated Property | |
| McVol | 150.980 | ml/mol | McGowan Calculated Property |
| Pc | 2729.71 | kPa | Joback Calculated Property |
| Tboil | 563.66 | K | Relay (1.0) Calculated Property |
| Tc | 718.16 | K | Relay (1.0) Calculated Property |
| Tfus | 286.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.575 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butanol, 4-(butylnitrosoamino)-.
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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