- InChI
- InChI=1S/C13H18O/c1-11(10-14)8-9-12(2)13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3
- InChI Key
- QPASYBVRNDPIRI-UHFFFAOYSA-N
- Formula
- C13H18O
- SMILES
- CC(C=O)CCC(C)c1ccccc1
- Molecular Weight1
- 190.28
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4815 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -173.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.405 | Crippen Calculated Property | |
| McVol | 171.840 | ml/mol | McGowan Calculated Property |
| Pc | 2391.19 | kPa | Joback Calculated Property |
| I | [2029.00; 2029.00] |
|
|
| I | 2029.00 | NIST | |
| I | 2029.00 | NIST | |
| Tboil | 530.96 | K | Relay (1.0) Calculated Property |
| Tc | 751.23 | K | Relay (1.0) Calculated Property |
| Tfus | 269.82 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [417.95; 503.61] | J/mol×K | [571.30; 780.02] |
|
| Cp,gas | 417.95 | J/mol×K | 571.30 | Joback Calculated Property |
| Cp,gas | 434.58 | J/mol×K | 606.09 | Joback Calculated Property |
| Cp,gas | 450.21 | J/mol×K | 640.87 | Joback Calculated Property |
| Cp,gas | 464.89 | J/mol×K | 675.66 | Joback Calculated Property |
| Cp,gas | 478.65 | J/mol×K | 710.45 | Joback Calculated Property |
| Cp,gas | 491.55 | J/mol×K | 745.23 | Joback Calculated Property |
| Cp,gas | 503.61 | J/mol×K | 780.02 | Joback Calculated Property |
| η | [0.0002010; 0.0064620] | Pa×s | [274.69; 571.30] |
|
| η | 0.0064620 | Pa×s | 274.69 | Joback Calculated Property |
| η | 0.0023313 | Pa×s | 324.12 | Joback Calculated Property |
| η | 0.0011016 | Pa×s | 373.56 | Joback Calculated Property |
| η | 0.0006202 | Pa×s | 423.00 | Joback Calculated Property |
| η | 0.0003938 | Pa×s | 472.43 | Joback Calculated Property |
| η | 0.0002725 | Pa×s | 521.87 | Joback Calculated Property |
| η | 0.0002010 | Pa×s | 571.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-methyl-5-phenyl-2-hexenal.
Sources
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