- InChI
- InChI=1S/C5H9NO/c1-4(6)3-5(2)7/h3H,6H2,1-2H3/b4-3+
- InChI Key
- OSLAYKKXCYSJSF-ONEGZZNKSA-N
- Formula
- C5H9NO
- SMILES
- CC(=O)C=C(C)N
- Molecular Weight1
- 99.13
- CAS
- 1118-66-7
- Other Names
-
- Acetylacetonamine
- 4-Amino-3-penten-2-one
- 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 | 0.4618 | Relay (... Calculated Property | |
| ΔfG° | 0.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -208.52 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 14.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.46 | kJ/mol | Relay (... Calculated Property |
| IE | 8.10 | eV | Relay (... Calculated Property |
| log10WS | -0.07 | Relay (... Calculated Property | |
| logPoct/wat | 0.438 | Crippen Calculated Property | |
| McVol | 88.560 | ml/mol | McGowan Calculated Property |
| Pc | 4322.57 | kPa | Joback Calculated Property |
| Tboil | 482.50 ± 0.50 | K | NIST |
| Tc | 646.00 | K | Relay (... Calculated Property |
| Tfus | 317.99 | K | Relay (... Calculated Property |
| Vc | 0.322 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [172.81; 220.47] | J/mol×K | [444.24; 651.55] | 
|
| Cp,gas | 172.81 | J/mol×K | 444.24 | Joback Calculated Property |
| Cp,gas | 181.96 | J/mol×K | 478.79 | Joback Calculated Property |
| Cp,gas | 190.60 | J/mol×K | 513.34 | Joback Calculated Property |
| Cp,gas | 198.74 | J/mol×K | 547.89 | Joback Calculated Property |
| Cp,gas | 206.42 | J/mol×K | 582.44 | Joback Calculated Property |
| Cp,gas | 213.65 | J/mol×K | 617.00 | Joback Calculated Property |
| Cp,gas | 220.47 | J/mol×K | 651.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Penten-2-one, 4-amino-.
Sources
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