- InChI
- InChI=1S/C12H14O4/c1-14-10-6-4-9(8-11(10)15-2)5-7-12(13)16-3/h4-8H,1-3H3/b7-5+
- InChI Key
- JXRYDOZRPYFBKO-FNORWQNLSA-N
- Formula
- C12H14O4
- SMILES
- COC(=O)C=Cc1ccc(OC)c(OC)c1
- Molecular Weight1
- 222.24
- CAS
- 5396-64-5
- Other Names
-
- Cinnamic acid, 3,4-dimethoxy-, methyl ester
- Methyl 3,4-dimethoxycinnamate
- 3,4-O-Dimethylcaffeic acid methyl ester
- Methyl ester of 3,4-Dimethoxycinnamic acid
- 3,4-Dimethoxy-trans-cinnamic acid,methyl ester
- Methyl 3-(3,4-dimethoxyphenyl)-2-propenoate
- Methyl 3-(3,4-dimethoxyphenyl)acrylate
- Methyl 3-(3,4-dimethoxyphenyl)-prop-2-enoate
- 3,4-Dimethoxy methyl cinnamate
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6483 | Relay (1.0) Calculated Property | |
| ΔfG° | -220.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -521.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.890 | Crippen Calculated Property | |
| McVol | 171.060 | ml/mol | McGowan Calculated Property |
| Pc | 2487.55 | kPa | Joback Calculated Property |
| Inp | [1825.00; 1895.30] |
|
|
| Inp | 1873.00 | NIST | |
| Inp | 1873.00 | NIST | |
| Inp | 1825.00 | NIST | |
| Inp | 1895.30 | NIST | |
| Inp | 1834.00 | NIST | |
| Inp | 1834.00 | NIST | |
| Inp | 1873.00 | NIST | |
| Tboil | 580.96 | K | Relay (1.0) Calculated Property |
| Tc | 776.66 | K | Relay (1.0) Calculated Property |
| Tfus | 378.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.615 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [422.99; 493.81] | J/mol×K | [635.89; 847.87] |
|
| Cp,gas | 422.99 | J/mol×K | 635.89 | Joback Calculated Property |
| Cp,gas | 436.66 | J/mol×K | 671.22 | Joback Calculated Property |
| Cp,gas | 449.59 | J/mol×K | 706.55 | Joback Calculated Property |
| Cp,gas | 461.77 | J/mol×K | 741.88 | Joback Calculated Property |
| Cp,gas | 473.21 | J/mol×K | 777.21 | Joback Calculated Property |
| Cp,gas | 483.89 | J/mol×K | 812.54 | Joback Calculated Property |
| Cp,gas | 493.81 | J/mol×K | 847.87 | Joback Calculated Property |
| η | [0.0000976; 0.0006990] | Pa×s | [388.00; 635.89] |
|
| η | 0.0006990 | Pa×s | 388.00 | Joback Calculated Property |
| η | 0.0004299 | Pa×s | 429.31 | Joback Calculated Property |
| η | 0.0002880 | Pa×s | 470.63 | Joback Calculated Property |
| η | 0.0002058 | Pa×s | 511.94 | Joback Calculated Property |
| η | 0.0001546 | Pa×s | 553.26 | Joback Calculated Property |
| η | 0.0001209 | Pa×s | 594.58 | Joback Calculated Property |
| η | 0.0000976 | Pa×s | 635.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, methyl ester.
Sources
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