- InChI
- InChI=1S/C6H8ClN5O/c1-3(13)11-12-6-4(8)5(7)9-2-10-6/h2H,8H2,1H3,(H,11,13)(H,9,10,12)
- InChI Key
- QLRSZYIHMUMZOY-UHFFFAOYSA-N
- Formula
- C6H8ClN5O
- SMILES
- CC(=O)NNc1ncnc(Cl)c1N
- Molecular Weight1
- 201.61
- CAS
- 7597-91-3
- 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 | 0.6539 | Relay (1.0) Calculated Property | |
| ΔfG° | 216.67 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -25.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 97.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.175 | Crippen Calculated Property | |
| McVol | 135.350 | ml/mol | McGowan Calculated Property |
| Pc | 5185.78 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 590.81 | K | Relay (1.0) Calculated Property |
| Tc | 922.38 | K | Relay (1.0) Calculated Property |
| Tfus | 515.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.472 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, 5-amino-6-chloro-4-pyrimidinyl hydrazide.
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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