- InChI
- InChI=1S/C12H26N2O/c1-3-5-7-9-11-14(13-15)12-10-8-6-4-2/h3-12H2,1-2H3
- InChI Key
- KWAGGQMMLIYQAU-UHFFFAOYSA-N
- Formula
- C12H26N2O
- SMILES
- CCCCCCN(CCCCCC)N=O
- Molecular Weight1
- 214.35
- CAS
- 6949-28-6
- Other Names
-
- Dihexylamine, N-nitroso-
- Di-n-Hexylnitrosamine
- Dihexylnitrosamine
- Dihexylnitrosoamine
- N-Nitrosodihexylamine
- Nitrosodi-N-hexylamine
- N,N-Di-n-hexylnitrosamine
- 1,1-Dihexyl-2-oxohydrazine
- NSC 18800
- 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 | 0.7997 | Relay (1.0) Calculated Property | |
| ΔfG° | 195.23 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -179.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 69.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.130 | Crippen Calculated Property | |
| McVol | 201.470 | ml/mol | McGowan Calculated Property |
| Pc | 1750.67 | kPa | Joback Calculated Property |
| Inp | [1705.00; 1705.00] |
|
|
| Inp | 1705.00 | NIST | |
| Inp | 1705.00 | NIST | |
| Tboil | 557.39 | K | Relay (1.0) Calculated Property |
| Tc | 721.25 | K | Relay (1.0) Calculated Property |
| Tfus | 285.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.790 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexanamine, N-hexyl-N-nitroso-.
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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