- InChI
- InChI=1S/C10H6/c1-3-9-5-7-10(4-2)8-6-9/h1-2,5-8H
- InChI Key
- MVLGANVFCMOJHR-UHFFFAOYSA-N
- Formula
- C10H6
- SMILES
- C#Cc1ccc(C#C)cc1
- Molecular Weight1
- 126.16
- Other Names
-
- 1,4-Bis(ethynyl)benzene
- Benzene,1,4-diethynyl-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 452.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.26 | kJ/mol | Joback Calculated Property |
| IE | 8.58 ± 0.02 | eV | NIST |
| logPoct/wat | 1.649 | Crippen Calculated Property | |
| McVol | 110.800 | ml/mol | McGowan Calculated Property |
| Tboil | 472.57 | K | Relay (1.0) Calculated Property |
| Tfus | 407.36 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [198.09; 253.94] | J/mol×K | [440.10; 679.89] | 
|
| Cp,gas | 198.09 | J/mol×K | 440.10 | Joback Calculated Property |
| Cp,gas | 209.35 | J/mol×K | 480.07 | Joback Calculated Property |
| Cp,gas | 219.75 | J/mol×K | 520.03 | Joback Calculated Property |
| Cp,gas | 229.36 | J/mol×K | 560.00 | Joback Calculated Property |
| Cp,gas | 238.22 | J/mol×K | 599.96 | Joback Calculated Property |
| Cp,gas | 246.40 | J/mol×K | 639.93 | Joback Calculated Property |
| Cp,gas | 253.94 | J/mol×K | 679.89 | Joback Calculated Property |
Similar Compounds
![1,4-Bis[(trimethylsilyl)ethynyl]benzene.](data:image/png;base64,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)
Find more compounds similar to 1,4-BIS(ETHYNYL)BENZENE.
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
- Joback Method
- McGowan Method
- NIST Webbook
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