- InChI
- InChI=1S/C11H13NO/c1-9(12-2)8-11(13)10-6-4-3-5-7-10/h3-8,12H,1-2H3/b9-8+
- InChI Key
- AYAHPVFYLSWGGO-CMDGGOBGSA-N
- Formula
- C11H13NO
- SMILES
- CN/C(C)=C/C(=O)c1ccccc1
- Molecular Weight1
- 175.23
- Other Names
-
- Crotonophenone, 3-(methylamino)-
- 3-(Methylamino)-1-phenyl-2-buten-1-one
- 3-(Methylamino)-1-phenyl-but-2-enone
- (E)-3-(Methylamino)-1-phenyl-but-2-enone
- ω : Acentric Factor.
- ΔcH°solid : Standard solid 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).
- ΔfH°solid : Solid phase 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).
- 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 | 0.4923 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -6033.60 ± 1.50 | kJ/mol | NIST |
| ΔfG° | 186.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -53.70 ± 4.70 | kJ/mol | NIST |
| ΔfH°solid | -152.90 ± 2.10 | kJ/mol | NIST |
| ΔfusH° | 23.88 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [99.20; 99.20] | kJ/mol |
|
| ΔsubH° | 99.20 ± 4.20 | kJ/mol | NIST |
| ΔsubH° | 99.20 ± 4.20 | kJ/mol | NIST |
| ΔvapH° | 79.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.992 | Crippen Calculated Property | |
| McVol | 149.340 | ml/mol | McGowan Calculated Property |
| Pc | 3052.41 | kPa | Joback Calculated Property |
| Tboil | 565.03 | K | Relay (1.0) Calculated Property |
| Tc | 789.07 | K | Relay (1.0) Calculated Property |
| Tfus | 367.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.521 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [351.12; 422.84] | J/mol×K | [586.04; 810.99] |
|
| Cp,gas | 351.12 | J/mol×K | 586.04 | Joback Calculated Property |
| Cp,gas | 365.36 | J/mol×K | 623.53 | Joback Calculated Property |
| Cp,gas | 378.61 | J/mol×K | 661.02 | Joback Calculated Property |
| Cp,gas | 390.92 | J/mol×K | 698.52 | Joback Calculated Property |
| Cp,gas | 402.35 | J/mol×K | 736.01 | Joback Calculated Property |
| Cp,gas | 412.97 | J/mol×K | 773.50 | Joback Calculated Property |
| Cp,gas | 422.84 | J/mol×K | 810.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Buten-1-one, 3-(methylamino)-1-phenyl-.
Sources
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