- InChI
- InChI=1S/C15H12O/c1-2-15(16,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h1,3-12,16H
- InChI Key
- SMCLTAARQYTXLW-UHFFFAOYSA-N
- Formula
- C15H12O
- SMILES
- C#CC(O)(c1ccccc1)c1ccccc1
- Molecular Weight1
- 208.26
- CAS
- 3923-52-2
- Other Names
-
- Diphenylethinylcarbinol
- 1,1-Diphenylpropargyl alcohol
- 2-Propyn-1-ol, 1,1-diphenyl-
- 3,3-Diphenyl-3-hydroxy-1-propyne
- 1,1-Diphenyl-2-propyn-1-ol
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5902 | Relay (1.0) Calculated Property | |
| ΔfG° | 389.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 268.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.556 | Crippen Calculated Property | |
| McVol | 171.960 | ml/mol | McGowan Calculated Property |
| Pc | 3314.37 | kPa | Joback Calculated Property |
| Tboil | 551.94 | K | Relay (1.0) Calculated Property |
| Tc | 851.57 | K | Relay (1.0) Calculated Property |
| Tfus | 376.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.594 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [436.73; 502.61] | J/mol×K | [675.03; 918.68] | 
|
| Cp,gas | 436.73 | J/mol×K | 675.03 | Joback Calculated Property |
| Cp,gas | 450.33 | J/mol×K | 715.64 | Joback Calculated Property |
| Cp,gas | 462.71 | J/mol×K | 756.25 | Joback Calculated Property |
| Cp,gas | 474.00 | J/mol×K | 796.86 | Joback Calculated Property |
| Cp,gas | 484.32 | J/mol×K | 837.46 | Joback Calculated Property |
| Cp,gas | 493.82 | J/mol×K | 878.07 | Joback Calculated Property |
| Cp,gas | 502.61 | J/mol×K | 918.68 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [414.00; 453.00] | K | [0.30; 2.40] |
|
| Tboilr | 414.00 ± 2.00 | K | 0.30 | NIST |
| Tboilr | 453.00 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to Benzenemethanol, «alpha»-ethynyl-«alpha»-phenyl-.
Sources
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