- InChI
- InChI=1S/C11H12O2/c1-9(12)7-8-10-5-3-4-6-11(10)13-2/h3-8H,1-2H3/b8-7+
- InChI Key
- BTSZEPMWUWYLCP-BQYQJAHWSA-N
- Formula
- C11H12O2
- SMILES
- COc1ccccc1C=CC(C)=O
- Molecular Weight1
- 176.21
- CAS
- 10542-87-7
- Other Names
-
- 4-(2-Methoxyphenyl)but-3-en-2-one
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 |
|---|---|---|---|
| ΔfG° | -9.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -172.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.13 | kJ/mol | Joback Calculated Property |
| IE | [8.20; 8.20] | eV |
|
| IE | 8.20 | eV | NIST |
| IE | 8.20 ± 0.10 | eV | NIST |
| log10WS | -2.53 | Crippen Calculated Property | |
| logPoct/wat | 2.297 | Crippen Calculated Property | |
| McVol | 145.230 | ml/mol | McGowan Calculated Property |
| Pc | 2890.51 | kPa | Joback Calculated Property |
| Tboil | 563.19 | K | Joback Calculated Property |
| Tc | 783.00 | K | Joback Calculated Property |
| Tfus | 319.75 | K | Joback Calculated Property |
| Vc | 0.547 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.84; 396.77] | J/mol×K | [563.19; 783.00] |
|
| Cp,gas | 326.84 | J/mol×K | 563.19 | Joback Calculated Property |
| Cp,gas | 340.44 | J/mol×K | 599.82 | Joback Calculated Property |
| Cp,gas | 353.23 | J/mol×K | 636.46 | Joback Calculated Property |
| Cp,gas | 365.23 | J/mol×K | 673.09 | Joback Calculated Property |
| Cp,gas | 376.46 | J/mol×K | 709.73 | Joback Calculated Property |
| Cp,gas | 386.97 | J/mol×K | 746.36 | Joback Calculated Property |
| Cp,gas | 396.77 | J/mol×K | 783.00 | Joback Calculated Property |
| η | [0.0001663; 0.0015957] | Pa×s | [319.75; 563.19] |
|
| η | 0.0015957 | Pa×s | 319.75 | Joback Calculated Property |
| η | 0.0008853 | Pa×s | 360.32 | Joback Calculated Property |
| η | 0.0005534 | Pa×s | 400.90 | Joback Calculated Property |
| η | 0.0003771 | Pa×s | 441.47 | Joback Calculated Property |
| η | 0.0002741 | Pa×s | 482.04 | Joback Calculated Property |
| η | 0.0002094 | Pa×s | 522.62 | Joback Calculated Property |
| η | 0.0001663 | Pa×s | 563.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Buten-2-one, 4-(2-methoxyphenyl)-.
Sources
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