- InChI
- InChI=1S/C13H16O/c1-11(2)8-9-13(10-14)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3/b13-9-
- InChI Key
- YURDCJXYOLERLO-LCYFTJDESA-N
- Formula
- C13H16O
- SMILES
- CC(C)CC=C(C=O)c1ccccc1
- Molecular Weight1
- 188.27
- CAS
- 21834-92-4
- Other Names
-
- Benzeneacetaldehyde, «alpha»-(3-methylbutylidene)-
- 2-Phenyl-5-methyl-2-hexenal
- 2-Phenyl-5-methylhex-2-enal
- 5-methyl-2-phenylhex-2-enal
- 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° | 140.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -58.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.18 | kJ/mol | Joback Calculated Property |
| log10WS | -3.43 | Crippen Calculated Property | |
| logPoct/wat | 3.315 | Crippen Calculated Property | |
| McVol | 167.540 | ml/mol | McGowan Calculated Property |
| Pc | 2510.03 | kPa | Joback Calculated Property |
| Inp | [1482.00; 1535.00] |
|
|
| Inp | 1483.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1535.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1521.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1535.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1486.00 | NIST | |
| I | [2024.00; 2083.00] |
|
|
| I | 2083.00 | NIST | |
| I | 2060.00 | NIST | |
| I | 2052.00 | NIST | |
| I | 2024.00 | NIST | |
| Tboil | 575.78 | K | Joback Calculated Property |
| Tc | 792.99 | K | Joback Calculated Property |
| Tfus | 270.65 | K | Joback Calculated Property |
| Vc | 0.647 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [398.02; 479.46] | J/mol×K | [575.78; 792.99] |
|
| Cp,gas | 398.02 | J/mol×K | 575.78 | Joback Calculated Property |
| Cp,gas | 414.02 | J/mol×K | 611.98 | Joback Calculated Property |
| Cp,gas | 428.96 | J/mol×K | 648.18 | Joback Calculated Property |
| Cp,gas | 442.92 | J/mol×K | 684.39 | Joback Calculated Property |
| Cp,gas | 455.95 | J/mol×K | 720.59 | Joback Calculated Property |
| Cp,gas | 468.11 | J/mol×K | 756.79 | Joback Calculated Property |
| Cp,gas | 479.46 | J/mol×K | 792.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Methyl-2-phenyl-2-hexenal.
Sources
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