- InChI
- InChI=1S/C9H11NO/c1-6-4-7(2)9(10-11)8(3)5-6/h4-5H,1-3H3
- InChI Key
- FEKDDEQYKDNKJG-UHFFFAOYSA-N
- Formula
- C9H11NO
- SMILES
- Cc1cc(C)c(N=O)c(C)c1
- Molecular Weight1
- 149.19
- 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 | 0.5635 | Relay (1.0) Calculated Property | |
| ΔfG° | 149.44 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 107.40 ± 1.90 | kJ/mol | NIST |
| ΔvapH° | 59.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.010 | Crippen Calculated Property | |
| McVol | 125.460 | ml/mol | McGowan Calculated Property |
| Pc | 3038.96 | kPa | Joback Calculated Property |
| Tboil | 498.92 | K | Relay (1.0) Calculated Property |
| Tc | 728.00 | K | Relay (1.0) Calculated Property |
| Tfus | 298.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.471 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Trimethylnitrosobenzene.
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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