- InChI
- InChI=1S/C21H16O/c22-21(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-16-18-10-4-1-5-11-18/h1-15,22H
- InChI Key
- VWRQCJRTHKUVNF-UHFFFAOYSA-N
- Formula
- C21H16O
- SMILES
-
OC(C#Cc1ccccc1)(c1ccccc1)c1ccc
cc1 - Molecular Weight1
- 284.35
- CAS
- 1522-13-0
- Other Names
-
- 1,1,3-triphenylpropargyl alcohol
- Diphenyl(phenylethynyl)carbinol
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -10720.00 | kJ/mol | NIST |
| ΔfH°gas | 378.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | 194.30 | kJ/mol | NIST |
| ΔfusH° | 32.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.974 | Crippen Calculated Property | |
| McVol | 232.740 | ml/mol | McGowan Calculated Property |
| Tboil | 624.31 | K | Relay (1.0) Calculated Property |
| Tfus | 400.63 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 | [664.89; 735.60] | J/mol×K | [857.87; 1124.23] | 
|
| Cp,gas | 664.89 | J/mol×K | 857.87 | Joback Calculated Property |
| Cp,gas | 679.03 | J/mol×K | 902.26 | Joback Calculated Property |
| Cp,gas | 691.95 | J/mol×K | 946.66 | Joback Calculated Property |
| Cp,gas | 703.88 | J/mol×K | 991.05 | Joback Calculated Property |
| Cp,gas | 715.00 | J/mol×K | 1035.44 | Joback Calculated Property |
| Cp,gas | 725.51 | J/mol×K | 1079.83 | Joback Calculated Property |
| Cp,gas | 735.60 | J/mol×K | 1124.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenemethanol, «alpha»-phenyl-«alpha»-(2-phenylethynyl)-.
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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