- InChI
- InChI=1S/C12H19N5O/c1-3-4-9-17(2)16-15-11-8-6-5-7-10(11)12(18)14-13/h5-8H,3-4,9,13H2,1-2H3,(H,14,18)/b16-15+
- InChI Key
- XPJQJEMAJZIYGG-FOCLMDBBSA-N
- Formula
- C12H19N5O
- SMILES
- CCCCN(C)N=Nc1ccccc1C(=O)NN
- Molecular Weight1
- 249.31
- CAS
- 116466-08-1
- 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 | 0.8438 | Relay (1.0) Calculated Property | |
| ΔfG° | 356.71 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 138.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 86.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.021 | Crippen Calculated Property | |
| McVol | 203.350 | ml/mol | McGowan Calculated Property |
| Pc | 2094.58 | kPa | Joback Calculated Property |
| Tboil | 627.32 | K | Relay (1.0) Calculated Property |
| Tc | 881.71 | K | Relay (1.0) Calculated Property |
| Tfus | 360.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.730 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-(3-butyl-3-methyl-1-triazeno)-, 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
- Joback Method
- McGowan Method
- NIST Webbook
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