- InChI
- InChI=1S/C5H12N2O/c1-3-4-5-7(2)6-8/h3-5H2,1-2H3
- InChI Key
- PKTSCJXWLVREKX-UHFFFAOYSA-N
- Formula
- C5H12N2O
- SMILES
- CCCCN(C)N=O
- Molecular Weight1
- 116.16
- CAS
- 7068-83-9
- Other Names
-
- Butylmethylnitrosamine
- Butylamine, N-methyl-N-nitroso-
- Methylbutylnitrosamine
- N-Methyl-N-butylnitrosamine
- N-Methyl-N-nitrosobutylamine
- Butanamine, N-methyl-N-nitroso-
- MBNA
- Methyl-butyl-nitrosamin
- Methyl-n-butylnitrosamine
- N-Nitroso-n-butylmethylamine
- Nitrosomethyl-n-butylamine
- N-Nitrosomethyl-N-butylamine
- N-Nitroso-N-methyl-N-n-butylamine
- NMBA
- N-Butyl-N-methylnitrosamine
- N-Nitroso-N-methylbutylamine
- 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).
- 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 | -247.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.86 | kJ/mol | Joback Calculated Property |
| log10WS | -1.67 | Crippen Calculated Property | |
| logPoct/wat | 1.400 | Crippen Calculated Property | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| Pc | 3388.08 | kPa | Joback Calculated Property |
| Tboil | 389.64 | K | Joback Calculated Property |
| Tc | 556.16 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butanamine, N-methyl-N-nitroso-.
Sources
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