- InChI
- InChI=1S/C12H12/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H2
- InChI Key
- PYXWKTZVNXGDJK-UHFFFAOYSA-N
- Formula
- C12H12
- SMILES
- C1#CCCC#CCCC#CCC1
- Molecular Weight1
- 156.22
- CAS
- 60323-50-4
- 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 | 0.0747 | Relay (1.0) Calculated Property | |
| ΔfG° | 351.05 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 732.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 70.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.00; 9.24] | eV |
|
| IE | 9.00 | eV | NIST |
| IE | 9.24 | eV | NIST |
| log10WS | -3.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.351 | Crippen Calculated Property | |
| McVol | 143.280 | ml/mol | McGowan Calculated Property |
| Pc | 3110.10 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 505.57 | K | Relay (1.0) Calculated Property |
| Tc | 732.90 | K | Relay (1.0) Calculated Property |
| Tfus | 423.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.479 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1,5,9-Cyclododecatriyne.
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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