- InChI
- InChI=1S/C12H20/c1-11(2)7-5-6-8-12(3,4)10-9-11/h5-8H2,1-4H3
- InChI Key
- WVECPOSSBHZOOS-UHFFFAOYSA-N
- Formula
- C12H20
- SMILES
- CC1(C)C#CC(C)(C)CCCC1
- Molecular Weight1
- 164.29
- CAS
- 53561-46-9
- 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 | 0.2270 | Relay (1.0) Calculated Property | |
| ΔfG° | 179.20 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 85.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 50.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | NIST |
| log10WS | -4.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.616 | Crippen Calculated Property | |
| McVol | 160.480 | ml/mol | McGowan Calculated Property |
| Pc | 2448.11 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 471.03 | K | Relay (1.0) Calculated Property |
| Tc | 671.99 | K | Relay (1.0) Calculated Property |
| Tfus | 334.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.586 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Cyclooctyne,3,3,8,8-tetramethyl-.
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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