- InChI
- InChI=1S/C9H8N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,10H2
- InChI Key
- DTVYNUOOZIKEEX-UHFFFAOYSA-N
- Formula
- C9H8N2
- SMILES
- Nc1cccc2cnccc12
- Molecular Weight1
- 144.17
- CAS
- 1125-60-6
- Other Names
-
- Isoquinoline, 5-amino-
- 5-Aminoisoquinoline
- isoquinol-5-ylamine
- 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 | 0.5055 | Relay (... Calculated Property | |
| ΔfG° | 295.22 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 201.35 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 73.73 | kJ/mol | Relay (... Calculated Property |
| IE | 7.78 | eV | Relay (... Calculated Property |
| log10WS | -1.61 | Relay (... Calculated Property | |
| logPoct/wat | 1.817 | Crippen Calculated Property | |
| McVol | 114.410 | ml/mol | McGowan Calculated Property |
| Pc | 4734.80 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 583.98 | K | Relay (... Calculated Property |
| Tc | 885.76 | K | Relay (... Calculated Property |
| Tfus | 375.65 | K | Relay (... Calculated Property |
| Vc | 0.411 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5-Isoquinolinamine.
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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