- InChI
- InChI=1S/C10H11NO/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-7H,11H2,1H3/b8-7+
- InChI Key
- GHPWHAXKMNDINZ-BQYQJAHWSA-N
- Formula
- C10H11NO
- SMILES
- CC(N)=CC(=O)c1ccccc1
- Molecular Weight1
- 161.20
- CAS
- 1128-85-4
- Other Names
-
- Crotonophenone, 3-amino-
- 3-Amino-1-phenyl-but-2-enone
- 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).
- ΔsubH° : Enthalpy of sublimation 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 |
|---|---|---|---|
| ΔfG° | 154.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 15.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.39 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 109.40 ± 2.10 | kJ/mol | NIST |
| ΔvapH° | 57.55 | kJ/mol | Joback Calculated Property |
| log10WS | -2.75 | Crippen Calculated Property | |
| logPoct/wat | 1.732 | Crippen Calculated Property | |
| McVol | 135.250 | ml/mol | McGowan Calculated Property |
| Pc | 3585.64 | kPa | Joback Calculated Property |
| Tboil | 585.32 | K | Joback Calculated Property |
| Tc | 823.93 | K | Joback Calculated Property |
| Tfus | 343.03 | K | Joback Calculated Property |
| Vc | 0.503 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [313.59; 378.70] | J/mol×K | [585.32; 823.93] | 
|
| Cp,gas | 313.59 | J/mol×K | 585.32 | Joback Calculated Property |
| Cp,gas | 326.71 | J/mol×K | 625.09 | Joback Calculated Property |
| Cp,gas | 338.83 | J/mol×K | 664.86 | Joback Calculated Property |
| Cp,gas | 350.02 | J/mol×K | 704.63 | Joback Calculated Property |
| Cp,gas | 360.35 | J/mol×K | 744.39 | Joback Calculated Property |
| Cp,gas | 369.89 | J/mol×K | 784.16 | Joback Calculated Property |
| Cp,gas | 378.70 | J/mol×K | 823.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Buten-1-one, 3-amino-1-phenyl-.
Sources
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