- InChI
- InChI=1S/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4,7H2
- InChI Key
- KDHWOCLBMVSZPG-UHFFFAOYSA-N
- Formula
- C6H11N3
- SMILES
- NCCCn1ccnc1
- Molecular Weight1
- 125.17
- CAS
- 5036-48-6
- Other Names
-
- N-(3-Aminopropyl)imidazole
- 1H-Imidazole-1-propanamine
- 1H-imidazole-1-propylamine
- 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 | 0.5226 | Relay (1.0) Calculated Property | |
| ΔfG° | 270.20 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 101.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 72.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.232 | Crippen Calculated Property | |
| McVol | 105.880 | ml/mol | McGowan Calculated Property |
| Pc | 4232.17 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 555.74 | K | Relay (1.0) Calculated Property |
| Tc | 742.08 | K | Relay (1.0) Calculated Property |
| Tfus | 313.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.387 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-(3-Aminopropyl)imidazole.
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
- McGowan Method
- NIST Webbook
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