- InChI
- InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+
- InChI Key
- AFWKBSMFXWNGRE-ONEGZZNKSA-N
- Formula
- C11H12O3
- SMILES
- COc1cc(C=CC(C)=O)ccc1O
- Molecular Weight1
- 192.21
- CAS
- 1080-12-2
- Other Names
-
- (O)-Dehydroparadol
- (O)-Paradol, dehydro-
- Dehydrozingerone
- Feruloylmethane
- 3-Methoxy-4-hydroxybenzalacetone
- 4-Hydroxy-3-methoxystyryl methyl ketone
- 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one
- Methyl-3-methoxy-4-hydroxy styryl ketone
- MHSK
- 4-Hydroxy-3-methoxybenzylideneacetone
- Dehydro(O)-paradol
- NSC 26613
- NSC 4019
- NSC 44708
- NSC 5316
- Vanillalacetone
- (E)-4-(4-Hydroxy-3-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).
- 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).
- Inp : Non-polar retention indices.
- 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° | -163.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -350.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.15 | kJ/mol | Joback Calculated Property |
| log10WS | -2.08 | Crippen Calculated Property | |
| logPoct/wat | 2.003 | Crippen Calculated Property | |
| McVol | 151.100 | ml/mol | McGowan Calculated Property |
| Pc | 3415.86 | kPa | Joback Calculated Property |
| Inp | [1822.00; 1822.00] |
|
|
| Inp | 1822.00 | NIST | |
| Inp | 1822.00 | NIST | |
| Tboil | 643.81 | K | Joback Calculated Property |
| Tc | 873.35 | K | Joback Calculated Property |
| Tfus | 431.47 | K | Joback Calculated Property |
| Vc | 0.513 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [375.57; 437.40] | J/mol×K | [643.81; 873.35] |
|
| Cp,gas | 375.57 | J/mol×K | 643.81 | Joback Calculated Property |
| Cp,gas | 387.55 | J/mol×K | 682.07 | Joback Calculated Property |
| Cp,gas | 398.75 | J/mol×K | 720.32 | Joback Calculated Property |
| Cp,gas | 409.25 | J/mol×K | 758.58 | Joback Calculated Property |
| Cp,gas | 419.14 | J/mol×K | 796.84 | Joback Calculated Property |
| Cp,gas | 428.50 | J/mol×K | 835.10 | Joback Calculated Property |
| Cp,gas | 437.40 | J/mol×K | 873.35 | Joback Calculated Property |
| η | [0.0000207; 0.0005083] | Pa×s | [431.47; 643.81] |
|
| η | 0.0005083 | Pa×s | 431.47 | Joback Calculated Property |
| η | 0.0002436 | Pa×s | 466.86 | Joback Calculated Property |
| η | 0.0001295 | Pa×s | 502.25 | Joback Calculated Property |
| η | 0.0000748 | Pa×s | 537.64 | Joback Calculated Property |
| η | 0.0000463 | Pa×s | 573.03 | Joback Calculated Property |
| η | 0.0000303 | Pa×s | 608.42 | Joback Calculated Property |
| η | 0.0000207 | Pa×s | 643.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Buten-2-one, 4-(4-hydroxy-3-methoxyphenyl)-.
Sources
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