- InChI
- InChI=1S/C11H10O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h2-9H,1H2/b9-3+
- InChI Key
- VQMPPKIHOBTQQK-YCRREMRBSA-N
- Formula
- C11H10O
- SMILES
- C=CC=CC(=O)c1ccccc1
- Molecular Weight1
- 158.20
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4086 | Relay (1.0) Calculated Property | |
| ΔfG° | 193.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 56.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.611 | Crippen Calculated Property | |
| McVol | 135.060 | ml/mol | McGowan Calculated Property |
| Pc | 3135.00 | kPa | Joback Calculated Property |
| Inp | [1611.00; 1611.00] |
|
|
| Inp | 1611.00 | NIST | |
| Inp | 1611.00 | NIST | |
| Tboil | 513.62 | K | Relay (1.0) Calculated Property |
| Tc | 733.13 | K | Relay (1.0) Calculated Property |
| Tfus | 322.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.472 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [284.33; 352.20] | J/mol×K | [532.47; 758.77] |
|
| Cp,gas | 284.33 | J/mol×K | 532.47 | Joback Calculated Property |
| Cp,gas | 297.92 | J/mol×K | 570.19 | Joback Calculated Property |
| Cp,gas | 310.51 | J/mol×K | 607.90 | Joback Calculated Property |
| Cp,gas | 322.17 | J/mol×K | 645.62 | Joback Calculated Property |
| Cp,gas | 332.96 | J/mol×K | 683.34 | Joback Calculated Property |
| Cp,gas | 342.95 | J/mol×K | 721.06 | Joback Calculated Property |
| Cp,gas | 352.20 | J/mol×K | 758.77 | Joback Calculated Property |
| η | [0.0002108; 0.0026717] | Pa×s | [283.24; 532.47] |
|
| η | 0.0026717 | Pa×s | 283.24 | Joback Calculated Property |
| η | 0.0013347 | Pa×s | 324.78 | Joback Calculated Property |
| η | 0.0007805 | Pa×s | 366.32 | Joback Calculated Property |
| η | 0.0005091 | Pa×s | 407.86 | Joback Calculated Property |
| η | 0.0003593 | Pa×s | 449.39 | Joback Calculated Property |
| η | 0.0002691 | Pa×s | 490.93 | Joback Calculated Property |
| η | 0.0002108 | Pa×s | 532.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Phenyl-2,4-pentadiynone.
Sources
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