- InChI
- InChI=1S/C12H14O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-10H,1-2H3/b12-8+
- InChI Key
- ULRYRAHIBWLZKC-XYOKQWHBSA-N
- Formula
- C12H14O
- SMILES
- CC(C)C=C(C=O)c1ccccc1
- Molecular Weight1
- 174.24
- CAS
- 26643-91-4
- Other Names
-
- 4-Methyl-2-phenyl-2-pentenal
- 2-Pentenal, 4-methyl-2-phenyl
- 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).
- Inp : Non-polar retention indices.
- I : 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 | 0.4411 | Relay (1.0) Calculated Property | |
| ΔfG° | 132.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -23.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.925 | Crippen Calculated Property | |
| McVol | 153.450 | ml/mol | McGowan Calculated Property |
| Pc | 2770.08 | kPa | Joback Calculated Property |
| Inp | 1383.00 | NIST | |
| I | [1920.00; 1932.00] |
|
|
| I | 1932.00 | NIST | |
| I | 1920.00 | NIST | |
| I | 1920.00 | NIST | |
| Tboil | 516.33 | K | Relay (1.0) Calculated Property |
| Tc | 741.74 | K | Relay (1.0) Calculated Property |
| Tfus | 307.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.541 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.34; 428.05] | J/mol×K | [552.90; 774.00] |
|
| Cp,gas | 350.34 | J/mol×K | 552.90 | Joback Calculated Property |
| Cp,gas | 365.68 | J/mol×K | 589.75 | Joback Calculated Property |
| Cp,gas | 379.99 | J/mol×K | 626.60 | Joback Calculated Property |
| Cp,gas | 393.32 | J/mol×K | 663.45 | Joback Calculated Property |
| Cp,gas | 405.73 | J/mol×K | 700.30 | Joback Calculated Property |
| Cp,gas | 417.29 | J/mol×K | 737.15 | Joback Calculated Property |
| Cp,gas | 428.05 | J/mol×K | 774.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneacetaldehyde, «alpha»-(2-methylpropylidene)-.
Sources
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