- InChI
- InChI=1S/C15H10O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H
- InChI Key
- YECVQOULKHBGEN-UHFFFAOYSA-N
- Formula
- C15H10O
- SMILES
- O=C(C#Cc1ccccc1)c1ccccc1
- Molecular Weight1
- 206.24
- CAS
- 7338-94-5
- Other Names
-
- Benzoylphenylacetylene
- Diphenylpropynone
- Phenethynyl phenyl ketone
- Phenyl phenylethynyl ketone
- Phenylbenzoylacetylene
- Propiolophenone, 3-phenyl-
- 1-Benzoyl-2-phenylacetylene
- 1,3-Diphenylpropynone
- 2-Propyn-1-one, 1,3-diphenyl-
- 3-Phenylpropiolophenone
- Phenylethynyl phenyl ketone
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid 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).
- 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).
- 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 | 0.4394 | Relay (... Calculated Property | |
| ΔcH°liquid | -7486.80 | kJ/mol | NIST |
| ΔfG° | 374.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 272.43 | kJ/mol | Relay (... Calculated Property |
| ΔfH°liquid | [-114.00; 155.00] | kJ/mol |
|
| ΔfH°liquid | 155.00 ± 6.00 | kJ/mol | NIST |
| ΔfH°liquid | -114.00 | kJ/mol | NIST |
| ΔfusH° | 27.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.82 | kJ/mol | Relay (... Calculated Property |
| IE | 8.65 | eV | Relay (... Calculated Property |
| log10WS | -4.12 | Relay (... Calculated Property | |
| logPoct/wat | 2.921 | Crippen Calculated Property | |
| McVol | 167.660 | ml/mol | McGowan Calculated Property |
| Pc | 3181.14 | kPa | Joback Calculated Property |
| Tboil | 586.13 | K | Relay (... Calculated Property |
| Tc | 859.68 | K | Relay (... Calculated Property |
| Tfus | 356.01 | K | Relay (... Calculated Property |
| Vc | 0.601 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [397.59; 471.29] | J/mol×K | [658.83; 930.59] |
|
| Cp,gas | 397.59 | J/mol×K | 658.83 | Joback Calculated Property |
| Cp,gas | 413.07 | J/mol×K | 704.12 | Joback Calculated Property |
| Cp,gas | 427.14 | J/mol×K | 749.42 | Joback Calculated Property |
| Cp,gas | 439.88 | J/mol×K | 794.71 | Joback Calculated Property |
| Cp,gas | 451.42 | J/mol×K | 840.00 | Joback Calculated Property |
| Cp,gas | 461.85 | J/mol×K | 885.29 | Joback Calculated Property |
| Cp,gas | 471.29 | J/mol×K | 930.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Phenylpropiolophenone.
Sources
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