- InChI
- InChI=1S/C16H28/c1-15(2)11-9-7-5-6-8-10-12-16(3,4)14-13-15/h7-14H2,1-4H3
- InChI Key
- JWMCSWXRLWAYIJ-UHFFFAOYSA-N
- Formula
- C16H28
- SMILES
- CC1(C)CCCC#CCCCC(C)(C)CC1
- Molecular Weight1
- 220.39
- CAS
- 15753-76-1
- 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 | 0.2377 | Relay (1.0) Calculated Property | |
| ΔfG° | 214.35 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -51.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.177 | Crippen Calculated Property | |
| McVol | 216.840 | ml/mol | McGowan Calculated Property |
| Pc | 1933.57 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 552.04 | K | Relay (1.0) Calculated Property |
| Tc | 756.77 | K | Relay (1.0) Calculated Property |
| Tfus | 361.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.738 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1,1,4,4-Tetramethylcyclododec-8-yne.
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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