- InChI
- InChI=1S/C27H20/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H
- InChI Key
- VXFRQOLYYOGJNU-UHFFFAOYSA-N
- Formula
- C27H20
- SMILES
-
C(#CC(c1ccccc1)(c1ccccc1)c1ccc
cc1)c1ccccc1 - Molecular Weight1
- 344.46
- Other Names
-
- Propyne, tetraphenyl-
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 666.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.56 | kJ/mol | Joback Calculated Property |
| IE | 8.20 ± 0.08 | eV | NIST |
| logPoct/wat | 6.073 | Crippen Calculated Property | |
| McVol | 287.650 | ml/mol | McGowan Calculated Property |
| Tboil | 682.24 | K | Relay (1.0) Calculated Property |
| Tfus | 406.06 | 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 | [854.62; 944.61] | J/mol×K | [929.65; 1232.95] | 
|
| Cp,gas | 854.62 | J/mol×K | 929.65 | Joback Calculated Property |
| Cp,gas | 872.10 | J/mol×K | 980.20 | Joback Calculated Property |
| Cp,gas | 888.11 | J/mol×K | 1030.75 | Joback Calculated Property |
| Cp,gas | 903.01 | J/mol×K | 1081.30 | Joback Calculated Property |
| Cp,gas | 917.15 | J/mol×K | 1131.85 | Joback Calculated Property |
| Cp,gas | 930.90 | J/mol×K | 1182.40 | Joback Calculated Property |
| Cp,gas | 944.61 | J/mol×K | 1232.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,1',1'',1'''-(1-propyn-1-yl-3-ylidyne)tetrakis-.
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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