- InChI
- InChI=1S/C7H9N5O/c1-2-13-6-4-5(10-3-9-4)11-7(8)12-6/h3H,2H2,1H3,(H3,8,9,10,11,12)
- InChI Key
- SFXXRVSPZSOREJ-UHFFFAOYSA-N
- Formula
- C7H9N5O
- SMILES
- CCOc1nc(N)nc2nc[nH]c12
- Molecular Weight1
- 179.18
- CAS
- 51866-19-4
- 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 | 0.6418 | Relay (1.0) Calculated Property | |
| ΔfG° | 300.30 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 6.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 103.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.148 | Crippen Calculated Property | |
| McVol | 126.340 | ml/mol | McGowan Calculated Property |
| Pc | 4339.98 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 601.12 | K | Relay (1.0) Calculated Property |
| Tc | 909.68 | K | Relay (1.0) Calculated Property |
| Tfus | 483.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.487 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Purine, 2-amino-6-ethoxy-.
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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