- InChI
- InChI=1S/C12H22/c1-11(2,3)9-7-8-10-12(4,5)6/h9-10H2,1-6H3
- InChI Key
- XUMLVUIECTXEPJ-UHFFFAOYSA-N
- Formula
- C12H22
- SMILES
- CC(C)(C)CC#CCC(C)(C)C
- Molecular Weight1
- 166.30
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | 258.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -36.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.87 | kJ/mol | Joback Calculated Property |
| log10WS | -4.16 | Crippen Calculated Property | |
| logPoct/wat | 3.862 | Crippen Calculated Property | |
| McVol | 171.340 | ml/mol | McGowan Calculated Property |
| Pc | 2119.73 | kPa | Joback Calculated Property |
| Inp | [1003.00; 1003.00] |
|
|
| Inp | 1003.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Tboil | 476.50 | K | Joback Calculated Property |
| Tc | 681.33 | K | Joback Calculated Property |
| Tfus | 335.94 | K | Joback Calculated Property |
| Vc | 0.647 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [381.79; 481.08] | J/mol×K | [476.50; 681.33] |
|
| Cp,gas | 381.79 | J/mol×K | 476.50 | Joback Calculated Property |
| Cp,gas | 400.99 | J/mol×K | 510.64 | Joback Calculated Property |
| Cp,gas | 419.06 | J/mol×K | 544.78 | Joback Calculated Property |
| Cp,gas | 436.03 | J/mol×K | 578.92 | Joback Calculated Property |
| Cp,gas | 451.99 | J/mol×K | 613.06 | Joback Calculated Property |
| Cp,gas | 466.98 | J/mol×K | 647.20 | Joback Calculated Property |
| Cp,gas | 481.08 | J/mol×K | 681.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Octyne, 2,2,7,7-tetramethyl.
Sources
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