- InChI
- InChI=1S/C9H15NO/c1-4-6-10(7-5-2)8-9(3)11/h4-5H,1-2,6-8H2,3H3
- InChI Key
- NMQNNHLPNMVSQB-UHFFFAOYSA-N
- Formula
- C9H15NO
- SMILES
- C=CCN(CC=C)CC(C)=O
- Molecular Weight1
- 153.22
- CAS
- 73813-61-3
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4015 | Relay (1.0) Calculated Property | |
| ΔfG° | 182.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -89.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.249 | Crippen Calculated Property | |
| McVol | 140.620 | ml/mol | McGowan Calculated Property |
| Pc | 2665.27 | kPa | Joback Calculated Property |
| Tboil | 465.07 | K | Relay (1.0) Calculated Property |
| Tc | 641.56 | K | Relay (1.0) Calculated Property |
| Tfus | 266.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.462 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [295.80; 365.93] | J/mol×K | [464.99; 644.30] | 
|
| Cp,gas | 295.80 | J/mol×K | 464.99 | Joback Calculated Property |
| Cp,gas | 309.05 | J/mol×K | 494.88 | Joback Calculated Property |
| Cp,gas | 321.65 | J/mol×K | 524.76 | Joback Calculated Property |
| Cp,gas | 333.61 | J/mol×K | 554.65 | Joback Calculated Property |
| Cp,gas | 344.96 | J/mol×K | 584.53 | Joback Calculated Property |
| Cp,gas | 355.72 | J/mol×K | 614.42 | Joback Calculated Property |
| Cp,gas | 365.93 | J/mol×K | 644.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diallylaminoacetone.
Sources
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