- InChI
- InChI=1S/C15H24N4S/c1-2-3-4-5-6-7-8-9-10-20-15-13-14(17-11-16-13)18-12-19-15/h11-12H,2-10H2,1H3,(H,16,17,18,19)
- InChI Key
- IZEYPLNZOVRJBO-UHFFFAOYSA-N
- Formula
- C15H24N4S
- SMILES
- CCCCCCCCCCSc1ncnc2nc[nH]c12
- Molecular Weight1
- 292.44
- CAS
- 6974-90-9
- 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 | 0.8032 | Relay (1.0) Calculated Property | |
| ΔfG° | 384.53 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 51.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 113.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.104 | Crippen Calculated Property | |
| McVol | 239.560 | ml/mol | McGowan Calculated Property |
| Pc | 2205.60 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 664.86 | K | Relay (1.0) Calculated Property |
| Tc | 936.34 | K | Relay (1.0) Calculated Property |
| Tfus | 388.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.910 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Purine, 6-(decylthio)-.
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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