- InChI
- InChI=1S/C19H16N4O/c24-19-17-18(20-13-21-19)23(12-16-9-5-2-6-10-16)14-22(17)11-15-7-3-1-4-8-15/h1-10,13-14H,11-12H2
- InChI Key
- RHMRDVIKWARBMO-UHFFFAOYSA-N
- Formula
- C19H16N4O
- SMILES
-
[O-]c1ncnc2c1[n+](Cc1ccccc1)cn
2Cc1ccccc1 - Molecular Weight1
- 316.36
- CAS
- 1317-09-5
- 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 | 0.6954 | Relay (1.0) Calculated Property | |
| ΔfG° | 615.08 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 390.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 133.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.889 | Crippen Calculated Property | |
| McVol | 237.920 | ml/mol | McGowan Calculated Property |
| Pc | 2443.24 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 713.40 | K | Relay (1.0) Calculated Property |
| Tc | 1074.06 | K | Relay (1.0) Calculated Property |
| Tfus | 476.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.869 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Hypoxanthine, 7,9-dibenzyl.
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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