- InChI
- InChI=1S/C5H9NO/c1-6(2)4-3-5-7/h3-5H,1-2H3/b4-3+
- InChI Key
- RRLMPLDPCKRASL-ONEGZZNKSA-N
- Formula
- C5H9NO
- SMILES
- CN(C)C=CC=O
- Molecular Weight1
- 99.13
- CAS
- 927-63-9
- Other Names
-
- «beta»-(Dimethylamino)acrolein
- 3-(Dimethylamino)acrolein
- N,N-Dimethylamino-2-propen-3-al
- 3-(Dimethylamino)acrylaldehyde
- 3-(Dimethylamino)-2-propenal
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -3079.00 ± 3.00 | kJ/mol | NIST |
| ΔfG° | 82.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -104.00 | kJ/mol | NIST |
| ΔfusH° | 14.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.00 ± 3.40 | kJ/mol | NIST |
| log10WS | -0.11 | Crippen Calculated Property | |
| logPoct/wat | 0.261 | Crippen Calculated Property | |
| McVol | 88.560 | ml/mol | McGowan Calculated Property |
| Pc | 4036.37 | kPa | Joback Calculated Property |
| Tboil | 544.70 | K | NIST |
| Tc | 559.78 | K | Joback Calculated Property |
| Tfus | 215.50 | K | Joback Calculated Property |
| Vc | 0.331 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.52; 205.05] | J/mol×K | [379.06; 559.78] | 
|
| Cp,gas | 155.52 | J/mol×K | 379.06 | Joback Calculated Property |
| Cp,gas | 164.96 | J/mol×K | 409.18 | Joback Calculated Property |
| Cp,gas | 173.89 | J/mol×K | 439.30 | Joback Calculated Property |
| Cp,gas | 182.35 | J/mol×K | 469.42 | Joback Calculated Property |
| Cp,gas | 190.35 | J/mol×K | 499.54 | Joback Calculated Property |
| Cp,gas | 197.91 | J/mol×K | 529.66 | Joback Calculated Property |
| Cp,gas | 205.05 | J/mol×K | 559.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenal, 3-(dimethylamino)-.
Sources
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