- InChI
- InChI=1S/C12H8O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,1H3
- InChI Key
- RAZOKRUZEQERLH-UHFFFAOYSA-N
- Formula
- C12H8O
- SMILES
- CC#CC#CC(=O)c1ccccc1
- Molecular Weight1
- 168.19
- CAS
- 495-74-9
- Other Names
-
- 2,4-Hexadiynophenone
- Capillin
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | 439.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 377.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.63 | kJ/mol | Joback Calculated Property |
| log10WS | -3.40 | Crippen Calculated Property | |
| logPoct/wat | 1.896 | Crippen Calculated Property | |
| McVol | 140.550 | ml/mol | McGowan Calculated Property |
| Pc | 3646.53 | kPa | Joback Calculated Property |
| Inp | [1572.00; 1572.00] |
|
|
| Inp | 1572.00 | NIST | |
| Inp | 1572.00 | NIST | |
| Inp | 1572.00 | NIST | |
| Tboil | 572.51 | K | Joback Calculated Property |
| Tc | 839.40 | K | Joback Calculated Property |
| Tfus | 513.55 | K | Joback Calculated Property |
| Vc | 0.529 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.71; 360.01] | J/mol×K | [572.51; 839.40] |
|
| Cp,gas | 292.71 | J/mol×K | 572.51 | Joback Calculated Property |
| Cp,gas | 306.32 | J/mol×K | 616.99 | Joback Calculated Property |
| Cp,gas | 318.90 | J/mol×K | 661.47 | Joback Calculated Property |
| Cp,gas | 330.50 | J/mol×K | 705.96 | Joback Calculated Property |
| Cp,gas | 341.18 | J/mol×K | 750.44 | Joback Calculated Property |
| Cp,gas | 351.00 | J/mol×K | 794.92 | Joback Calculated Property |
| Cp,gas | 360.01 | J/mol×K | 839.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Hexadiyn-1-one, 1-phenyl-.
Sources
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