- InChI
- InChI=1S/C14H18O/c1-3-12(2)9-10-14(11-15)13-7-5-4-6-8-13/h4-8,10-12H,3,9H2,1-2H3/b14-10-
- InChI Key
- BOJMHRVYPALVNQ-UVTDQMKNSA-N
- Formula
- C14H18O
- SMILES
- CCC(C)CC=C(C=O)c1ccccc1
- Molecular Weight1
- 202.29
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 149.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -79.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.40 | kJ/mol | Joback Calculated Property |
| log10WS | -3.84 | Crippen Calculated Property | |
| logPoct/wat | 3.705 | Crippen Calculated Property | |
| McVol | 181.630 | ml/mol | McGowan Calculated Property |
| Pc | 2284.95 | kPa | Joback Calculated Property |
| Inp | [1456.00; 1495.00] |
|
|
| Inp | 1495.00 | NIST | |
| Inp | 1456.00 | NIST | |
| Inp | 1456.00 | NIST | |
| Inp | 1456.00 | NIST | |
| Inp | 1456.00 | NIST | |
| I | 2000.00 | NIST | |
| Tboil | 598.66 | K | Joback Calculated Property |
| Tc | 812.17 | K | Joback Calculated Property |
| Tfus | 281.92 | K | Joback Calculated Property |
| Vc | 0.704 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [447.27; 531.91] | J/mol×K | [598.66; 812.17] |
|
| Cp,gas | 447.27 | J/mol×K | 598.66 | Joback Calculated Property |
| Cp,gas | 463.83 | J/mol×K | 634.24 | Joback Calculated Property |
| Cp,gas | 479.32 | J/mol×K | 669.83 | Joback Calculated Property |
| Cp,gas | 493.81 | J/mol×K | 705.41 | Joback Calculated Property |
| Cp,gas | 507.36 | J/mol×K | 741.00 | Joback Calculated Property |
| Cp,gas | 520.05 | J/mol×K | 776.58 | Joback Calculated Property |
| Cp,gas | 531.91 | J/mol×K | 812.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexenal, 5-methyl-2-phenyl.
Sources
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