- InChI
- InChI=1S/C10H12O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
- InChI Key
- RPUSRLKKXPQSGP-UHFFFAOYSA-N
- Formula
- C10H12O2
- SMILES
- COC(=O)CCc1ccccc1
- Molecular Weight1
- 164.20
- CAS
- 103-25-3
- Other Names
-
- Hydrocinnamic acid, methyl ester
- «beta»-Phenylpropionic acid methyl ester
- Methyl «beta»-phenylpropionate
- Methyl hydrocinnamate
- Methyl 3-phenylpropanoate
- Methyl 3-phenylpropionate
- Methyl benzenepropanoate
- Methyl dihydrocinnamate
- Methyl ester of «beta»-Phenylpropionic acid
- Methyl phenylpropionate
- 3-Phenylpropanoic acid methyl ester
- Dihydromethyl cinnamate
- methyl (3-phenyI) propanoate
- 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.
- I : 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° | -88.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -258.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.29 | kJ/mol | Joback Calculated Property |
| IE | 9.10 ± 0.10 | eV | NIST |
| log10WS | -1.97 | Crippen Calculated Property | |
| logPoct/wat | 1.792 | Crippen Calculated Property | |
| McVol | 135.440 | ml/mol | McGowan Calculated Property |
| Pc | 3082.99 | kPa | Joback Calculated Property |
| Inp | [217.51; 1295.20] |
|
|
| Inp | 1280.00 | NIST | |
| Inp | 1278.00 | NIST | |
| Inp | 1278.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1277.00 | NIST | |
| Inp | 1279.10 | NIST | |
| Inp | 1295.20 | NIST | |
| Inp | 1293.00 | NIST | |
| Inp | 1246.00 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1242.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | 1253.00 | NIST | |
| Inp | Outlier 217.51 | NIST | |
| I | [1842.00; 1866.00] |
|
|
| I | 1857.00 | NIST | |
| I | 1854.00 | NIST | |
| I | 1855.00 | NIST | |
| I | 1842.00 | NIST | |
| I | 1866.00 | NIST | |
| I | 1853.00 | NIST | |
| Tboil | 511.70 | K | NIST |
| Tc | 743.85 | K | Joback Calculated Property |
| Tfus | 301.04 | K | Joback Calculated Property |
| Vc | 0.511 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [300.47; 370.98] | J/mol×K | [531.17; 743.85] |
|
| Cp,gas | 300.47 | J/mol×K | 531.17 | Joback Calculated Property |
| Cp,gas | 314.07 | J/mol×K | 566.62 | Joback Calculated Property |
| Cp,gas | 326.90 | J/mol×K | 602.06 | Joback Calculated Property |
| Cp,gas | 338.99 | J/mol×K | 637.51 | Joback Calculated Property |
| Cp,gas | 350.35 | J/mol×K | 672.95 | Joback Calculated Property |
| Cp,gas | 361.01 | J/mol×K | 708.40 | Joback Calculated Property |
| Cp,gas | 370.98 | J/mol×K | 743.85 | Joback Calculated Property |
| η | [0.0002164; 0.0023380] | Pa×s | [301.04; 531.17] |
|
| η | 0.0023380 | Pa×s | 301.04 | Joback Calculated Property |
| η | 0.0012567 | Pa×s | 339.39 | Joback Calculated Property |
| η | 0.0007662 | Pa×s | 377.75 | Joback Calculated Property |
| η | 0.0005118 | Pa×s | 416.11 | Joback Calculated Property |
| η | 0.0003660 | Pa×s | 454.46 | Joback Calculated Property |
| η | 0.0002757 | Pa×s | 492.81 | Joback Calculated Property |
| η | 0.0002164 | Pa×s | 531.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenepropanoic acid, methyl ester.
Sources
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that the value is more than 2 standard deviations away from the
property mean.