- InChI
- InChI=1S/C13H16O5/c1-15-10-7-9(5-6-12(14)17-3)8-11(16-2)13(10)18-4/h5-8H,1-4H3/b6-5+
- InChI Key
- KLXHCGFNNUQTEY-AATRIKPKSA-N
- Formula
- C13H16O5
- SMILES
- COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1
- Molecular Weight1
- 252.26
- 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° | -326.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -633.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.14 | kJ/mol | Joback Calculated Property |
| log10WS | -2.35 | Crippen Calculated Property | |
| logPoct/wat | 1.899 | Crippen Calculated Property | |
| McVol | 191.020 | ml/mol | McGowan Calculated Property |
| Pc | 2197.95 | kPa | Joback Calculated Property |
| Inp | [1784.00; 1784.00] |
|
|
| Inp | 1784.00 | NIST | |
| Inp | 1784.00 | NIST | |
| Tboil | 686.17 | K | Joback Calculated Property |
| Tc | 893.75 | K | Joback Calculated Property |
| Tfus | 434.02 | K | Joback Calculated Property |
| Vc | 0.714 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [498.43; 570.06] | J/mol×K | [686.17; 893.75] |
|
| Cp,gas | 498.43 | J/mol×K | 686.17 | Joback Calculated Property |
| Cp,gas | 512.36 | J/mol×K | 720.77 | Joback Calculated Property |
| Cp,gas | 525.53 | J/mol×K | 755.36 | Joback Calculated Property |
| Cp,gas | 537.90 | J/mol×K | 789.96 | Joback Calculated Property |
| Cp,gas | 549.47 | J/mol×K | 824.56 | Joback Calculated Property |
| Cp,gas | 560.19 | J/mol×K | 859.15 | Joback Calculated Property |
| Cp,gas | 570.06 | J/mol×K | 893.75 | Joback Calculated Property |
| η | [0.0000688; 0.0004157] | Pa×s | [434.02; 686.17] |
|
| η | 0.0004157 | Pa×s | 434.02 | Joback Calculated Property |
| η | 0.0002698 | Pa×s | 476.05 | Joback Calculated Property |
| η | 0.0001879 | Pa×s | 518.07 | Joback Calculated Property |
| η | 0.0001381 | Pa×s | 560.10 | Joback Calculated Property |
| η | 0.0001060 | Pa×s | 602.12 | Joback Calculated Property |
| η | 0.0000842 | Pa×s | 644.15 | Joback Calculated Property |
| η | 0.0000688 | Pa×s | 686.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenoic, 3-(3, 4, 5 trimethoxy phenyl) methylester.
Sources
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