- InChI
- InChI=1S/C12H14O5/c1-15-9-6-4-8(5-7-10(13)14)11(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b7-5+
- InChI Key
- ZYOPDNLIHHFGEC-FNORWQNLSA-N
- Formula
- C12H14O5
- SMILES
- COc1ccc(C=CC(=O)O)c(OC)c1OC
- Molecular Weight1
- 238.24
- CAS
- 33130-03-9
- Other Names
-
- 2-Propenoic acid, 3-(2,3,4-trimethoxyphenyl)-
- trans-2,3,4-trimethoxycinnamic acid
- 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).
- 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 | 0.8839 | Relay (1.0) Calculated Property | |
| ΔfG° | -366.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -670.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.810 | Crippen Calculated Property | |
| McVol | 176.930 | ml/mol | McGowan Calculated Property |
| Pc | 2690.21 | kPa | Joback Calculated Property |
| Tboil | 614.40 | K | Relay (1.0) Calculated Property |
| Tc | 830.49 | K | Relay (1.0) Calculated Property |
| Tfus | 437.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.621 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.43; 530.18] | J/mol×K | [733.05; 933.80] | 
|
| Cp,gas | 473.43 | J/mol×K | 733.05 | Joback Calculated Property |
| Cp,gas | 484.59 | J/mol×K | 766.51 | Joback Calculated Property |
| Cp,gas | 495.08 | J/mol×K | 799.97 | Joback Calculated Property |
| Cp,gas | 504.89 | J/mol×K | 833.43 | Joback Calculated Property |
| Cp,gas | 514.02 | J/mol×K | 866.89 | Joback Calculated Property |
| Cp,gas | 522.45 | J/mol×K | 900.34 | Joback Calculated Property |
| Cp,gas | 530.18 | J/mol×K | 933.80 | Joback Calculated Property |
| η | [0.0000216; 0.0003992] | Pa×s | [461.34; 733.05] |
|
| η | 0.0003992 | Pa×s | 461.34 | Joback Calculated Property |
| η | 0.0001976 | Pa×s | 506.62 | Joback Calculated Property |
| η | 0.0001098 | Pa×s | 551.91 | Joback Calculated Property |
| η | 0.0000667 | Pa×s | 597.19 | Joback Calculated Property |
| η | 0.0000435 | Pa×s | 642.48 | Joback Calculated Property |
| η | 0.0000300 | Pa×s | 687.76 | Joback Calculated Property |
| η | 0.0000216 | Pa×s | 733.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4-Trimethoxycinnamic acid.
Sources
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