- InChI
- InChI=1S/C11H12O3/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h3-8H,1-2H3/b4-3+
- InChI Key
- KNUFNLWDGZQKKJ-ONEGZZNKSA-N
- Formula
- C11H12O3
- SMILES
- COc1ccc(C=CC=O)cc1OC
- Molecular Weight1
- 192.21
- CAS
- 4497-40-9
- Other Names
-
- Cinnamaldehyde, 3,4-dimethoxy-
- Coniferaldehyde methyl ether
- Methylconiferylaldehyde
- 3,4-Dimethoxycinnamaldehyde
- Coniferyl aldehyde, methyl ether
- 3-(3,4-dimethoxyphenyl)-2-propenal
- 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° | -94.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -289.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.18 | kJ/mol | Joback Calculated Property |
| log10WS | -2.23 | Crippen Calculated Property | |
| logPoct/wat | 1.916 | Crippen Calculated Property | |
| McVol | 151.100 | ml/mol | McGowan Calculated Property |
| Pc | 2826.33 | kPa | Joback Calculated Property |
| Inp | [1720.00; 1790.90] |
|
|
| Inp | 1790.90 | NIST | |
| Inp | 1720.00 | NIST | |
| Tboil | 585.38 | K | Joback Calculated Property |
| Tc | 798.61 | K | Joback Calculated Property |
| Tfus | 346.57 | K | Joback Calculated Property |
| Vc | 0.577 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [351.06; 417.63] | J/mol×K | [585.38; 798.61] |
|
| Cp,gas | 351.06 | J/mol×K | 585.38 | Joback Calculated Property |
| Cp,gas | 363.82 | J/mol×K | 620.92 | Joback Calculated Property |
| Cp,gas | 375.91 | J/mol×K | 656.46 | Joback Calculated Property |
| Cp,gas | 387.32 | J/mol×K | 692.00 | Joback Calculated Property |
| Cp,gas | 398.07 | J/mol×K | 727.54 | Joback Calculated Property |
| Cp,gas | 408.17 | J/mol×K | 763.07 | Joback Calculated Property |
| Cp,gas | 417.63 | J/mol×K | 798.61 | Joback Calculated Property |
| η | [0.0001458; 0.0010663] | Pa×s | [346.57; 585.38] |
|
| η | 0.0010663 | Pa×s | 346.57 | Joback Calculated Property |
| η | 0.0006452 | Pa×s | 386.37 | Joback Calculated Property |
| η | 0.0004288 | Pa×s | 426.17 | Joback Calculated Property |
| η | 0.0003056 | Pa×s | 465.98 | Joback Calculated Property |
| η | 0.0002297 | Pa×s | 505.78 | Joback Calculated Property |
| η | 0.0001800 | Pa×s | 545.58 | Joback Calculated Property |
| η | 0.0001458 | Pa×s | 585.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenal, 3-(3,4-dimethoxyphenyl)-.
Sources
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