- InChI
- InChI=1S/C7H11NO/c1-8(2)6-4-3-5-7-9/h3-7H,1-2H3/b5-3+,6-4+
- InChI Key
- MJPXUXNGHKYZIV-GGWOSOGESA-N
- Formula
- C7H11NO
- SMILES
- CN(C)C=CC=CC=O
- Molecular Weight1
- 125.17
- CAS
- 4688-60-2
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔsubH° : Enthalpy of sublimation 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -4199.00 ± 1.00 | kJ/mol | NIST |
| ΔfH°gas | -29.10 | kJ/mol | NIST |
| ΔfusH° | 19.60 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 99.04 ± 0.92 | kJ/mol | NIST |
| ΔvapH° | 63.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.63 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.817 | Crippen Calculated Property | |
| McVol | 112.440 | ml/mol | McGowan Calculated Property |
| Tboil | 494.22 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.23; 274.48] | J/mol×K | [429.18; 616.84] | 
|
| Cp,gas | 215.23 | J/mol×K | 429.18 | Joback Calculated Property |
| Cp,gas | 226.69 | J/mol×K | 460.46 | Joback Calculated Property |
| Cp,gas | 237.48 | J/mol×K | 491.73 | Joback Calculated Property |
| Cp,gas | 247.61 | J/mol×K | 523.01 | Joback Calculated Property |
| Cp,gas | 257.13 | J/mol×K | 554.29 | Joback Calculated Property |
| Cp,gas | 266.07 | J/mol×K | 585.56 | Joback Calculated Property |
| Cp,gas | 274.48 | J/mol×K | 616.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N,N-Dimethylamino-2,4-pentadiene-5-al.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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