- InChI
- InChI=1S/C12H23NO/c14-13-12-10-8-6-4-2-1-3-5-7-9-11-12/h14H,1-11H2
- InChI Key
- SCRFXJBEIINMIC-UHFFFAOYSA-N
- Formula
- C12H23NO
- SMILES
- ON=C1CCCCCCCCCCC1
- Molecular Weight1
- 197.32
- CAS
- 946-89-4
- 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 | 0.5461 | Relay (... Calculated Property | |
| ΔfG° | 204.26 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -253.13 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 81.26 | kJ/mol | Relay (... Calculated Property |
| IE | 8.84 ± 0.03 | eV | NIST |
| log10WS | -3.10 | Relay (... Calculated Property | |
| logPoct/wat | 4.121 | Crippen Calculated Property | |
| McVol | 180.630 | ml/mol | McGowan Calculated Property |
| Pc | 2455.60 | kPa | Joback Calculated Property |
| Tboil | 587.88 | K | Relay (... Calculated Property |
| Tc | 813.98 | K | Relay (... Calculated Property |
| Tfus | 382.38 | K | Relay (... Calculated Property |
| Vc | 0.591 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Cyclododecanone, oxime.
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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