- InChI
- InChI=1S/C12H14O3/c1-9(13)4-5-10-6-7-11(14-2)12(8-10)15-3/h4-8H,1-3H3/b5-4+
- InChI Key
- XUYBNDHXZMIALN-SNAWJCMRSA-N
- Formula
- C12H14O3
- SMILES
- COc1ccc(C=CC(C)=O)cc1OC
- Molecular Weight1
- 206.24
- CAS
- 15001-27-1
- Other Names
-
- 4-(3,4-Dimethoxyphenyl)-3-buten-2-one
- 3-Buten-2-one, 4-(3,4-dimethoxyphenyl)-
- 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).
- 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° | -115.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -337.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.43 | kJ/mol | Joback Calculated Property |
| log10WS | -2.65 | Crippen Calculated Property | |
| logPoct/wat | 2.306 | Crippen Calculated Property | |
| McVol | 165.190 | ml/mol | McGowan Calculated Property |
| Pc | 2530.27 | kPa | Joback Calculated Property |
| Tboil | 613.47 | K | Joback Calculated Property |
| Tc | 827.88 | K | Joback Calculated Property |
| Tfus | 365.77 | K | Joback Calculated Property |
| Vc | 0.622 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [398.09; 470.13] | J/mol×K | [613.47; 827.88] | 
|
| Cp,gas | 398.09 | J/mol×K | 613.47 | Joback Calculated Property |
| Cp,gas | 411.97 | J/mol×K | 649.20 | Joback Calculated Property |
| Cp,gas | 425.09 | J/mol×K | 684.94 | Joback Calculated Property |
| Cp,gas | 437.45 | J/mol×K | 720.67 | Joback Calculated Property |
| Cp,gas | 449.08 | J/mol×K | 756.41 | Joback Calculated Property |
| Cp,gas | 459.96 | J/mol×K | 792.14 | Joback Calculated Property |
| Cp,gas | 470.13 | J/mol×K | 827.88 | Joback Calculated Property |
| η | [0.0001222; 0.0009291] | Pa×s | [365.77; 613.47] |
|
| η | 0.0009291 | Pa×s | 365.77 | Joback Calculated Property |
| η | 0.0005581 | Pa×s | 407.05 | Joback Calculated Property |
| η | 0.0003683 | Pa×s | 448.34 | Joback Calculated Property |
| η | 0.0002607 | Pa×s | 489.62 | Joback Calculated Property |
| η | 0.0001947 | Pa×s | 530.90 | Joback Calculated Property |
| η | 0.0001516 | Pa×s | 572.19 | Joback Calculated Property |
| η | 0.0001222 | Pa×s | 613.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dimethoxybenzylideneacetone.
Sources
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