- InChI
- InChI=1S/C12H10/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,9H2,1H3
- InChI Key
- WXQYRBLGGSLJHA-UHFFFAOYSA-N
- Formula
- C12H10
- SMILES
- CC#CC#CCc1ccccc1
- Molecular Weight1
- 154.21
- CAS
- 520-74-1
- Other Names
-
- Hexa-2,4-diyn-1-ylbenzene
- 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).
- 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 |
|---|---|---|---|
| ω | 0.2261 | Relay (... Calculated Property | |
| ΔfG° | 568.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 532.37 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.89 | kJ/mol | Relay (... Calculated Property |
| IE | 8.38 | eV | Relay (... Calculated Property |
| log10WS | -3.24 | Relay (... Calculated Property | |
| logPoct/wat | 2.256 | Crippen Calculated Property | |
| McVol | 138.980 | ml/mol | McGowan Calculated Property |
| Pc | 3384.14 | kPa | Joback Calculated Property |
| Inp | 1501.20 | NIST | |
| Tboil | 493.02 | K | Relay (... Calculated Property |
| Tc | 703.32 | K | Relay (... Calculated Property |
| Tfus | 294.51 | K | Relay (... Calculated Property |
| Vc | 0.493 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [278.15; 354.45] | J/mol×K | [518.64; 776.81] | 
|
| Cp,gas | 278.15 | J/mol×K | 518.64 | Joback Calculated Property |
| Cp,gas | 293.30 | J/mol×K | 561.67 | Joback Calculated Property |
| Cp,gas | 307.39 | J/mol×K | 604.70 | Joback Calculated Property |
| Cp,gas | 320.50 | J/mol×K | 647.72 | Joback Calculated Property |
| Cp,gas | 332.68 | J/mol×K | 690.75 | Joback Calculated Property |
| Cp,gas | 343.98 | J/mol×K | 733.78 | Joback Calculated Property |
| Cp,gas | 354.45 | J/mol×K | 776.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Capillene.
Sources
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