- InChI
- InChI=1S/C12H20/c1-11(2,3)9-7-8-10-12(4,5)6/h7,9H,1-6H3/b9-7+
- InChI Key
- SJKGMWBQDQMRKQ-VQHVLOKHSA-N
- Formula
- C12H20
- SMILES
- CC(C)(C)C#CC=CC(C)(C)C
- Molecular Weight1
- 164.29
- CAS
- 55682-74-1
- Other Names
-
- 2,2,7,7-Tetramethyl-3-octen-5-yne
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.2546 | Relay (... Calculated Property | |
| ΔfG° | 338.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 79.02 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.45 | kJ/mol | Relay (... Calculated Property |
| IE | 8.48 | eV | Relay (... Calculated Property |
| log10WS | -4.94 | Relay (... Calculated Property | |
| logPoct/wat | 3.638 | Crippen Calculated Property | |
| McVol | 167.040 | ml/mol | McGowan Calculated Property |
| Pc | 2224.99 | kPa | Joback Calculated Property |
| Tboil | 436.97 | K | Relay (... Calculated Property |
| Tc | 613.15 | K | Relay (... Calculated Property |
| Tfus | 274.12 | K | Relay (... Calculated Property |
| Vc | 0.615 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [365.53; 461.85] | J/mol×K | [480.66; 695.61] | 
|
| Cp,gas | 365.53 | J/mol×K | 480.66 | Joback Calculated Property |
| Cp,gas | 384.49 | J/mol×K | 516.48 | Joback Calculated Property |
| Cp,gas | 402.18 | J/mol×K | 552.31 | Joback Calculated Property |
| Cp,gas | 418.68 | J/mol×K | 588.13 | Joback Calculated Property |
| Cp,gas | 434.07 | J/mol×K | 623.96 | Joback Calculated Property |
| Cp,gas | 448.43 | J/mol×K | 659.78 | Joback Calculated Property |
| Cp,gas | 461.85 | J/mol×K | 695.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Octen-5-yne, 2,2,7,7-tetramethyl-.
Sources
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