![2-Propenal, 3-[4-(dimethylamino)phenyl]-](/cid/79-907-8/2-Propenal-3-4-dimethylamino-phenyl.png "2-Propenal, 3-[4-(dimethylamino)phenyl]-")
- InChI
- InChI=1S/C11H13NO/c1-12(2)11-7-5-10(6-8-11)4-3-9-13/h3-9H,1-2H3/b4-3+
- InChI Key
- RUKJCCIJLIMGEP-ONEGZZNKSA-N
- Formula
- C11H13NO
- SMILES
- CN(C)c1ccc(/C=C/C=O)cc1
- Molecular Weight1
- 175.23
- Other Names
-
- 3-[4-(Dimethylamino)phenyl]-2-propenal
- 4-(N,N-Dimethylamino)cinnamaldehyde
- 4-Dimethylaminocinnamaldehyde
- 4-Dimethylaminocinnamic aldehyde
- 4-Dimethylcinnamaldehyde
- Cinnamaldehyde, p-(dimethylamino)-
- NSC 62138
- p-Dimethylaminocinnamaldehyde
- p-Dimethylaminocinnamic aldehyde
- p-N,N-Dimethylaminocinnamaldehyde
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 10.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.52 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.965 | Crippen Calculated Property | |
| McVol | 149.340 | ml/mol | McGowan Calculated Property |
| Tboil | 582.80 | K | Relay (1.0) Calculated Property |
| Tfus | 369.95 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [190.54; 463.49] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.01900e+01 | |||
| Coefficient B | 1.02884e+00 | |||
| Coefficient C | -7.28160e-04 | |||
| Coefficient D | 2.03000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 190.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 241.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 286.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 324.41 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 357.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 385.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 409.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 430.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 447.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 463.49 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenal, 3-[4-(dimethylamino)phenyl]-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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