- 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
- 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.
- 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 |
|---|---|---|---|
| ω | 0.4865 | Relay (1.0) Calculated Property | |
| ΔfG° | -164.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -295.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 ± 0.10 | eV | NIST |
| log10WS | -2.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.792 | Crippen Calculated Property | |
| McVol | 135.440 | ml/mol | McGowan Calculated Property |
| Pc | 2947.28 | 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 | |
| Inp | 1280.00 | 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 | 711.84 | K | Relay (1.0) Calculated Property |
| Tfus | 231.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.495 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [176.70; 424.82] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.46980e+01 | |||
| Coefficient B | 8.20120e-01 | |||
| Coefficient C | -4.56800e-04 | |||
| Coefficient D | 7.62000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 176.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 221.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 261.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 297.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 328.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 354.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 377.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 396.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 412.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 424.82 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0036787; 0.0002091] | Pa×s | [271.21; 506.25] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.17819e+01 | |||
| Coefficient B | 1.67518e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 271.21 | |||
| Temperature range, max. | 506.25 | |||
| η | 0.0036787 | Pa×s | 271.21 | Calculated Property |
| η | 0.0021383 | Pa×s | 297.33 | Calculated Property |
| η | 0.0013568 | Pa×s | 323.44 | Calculated Property |
| η | 0.0009214 | Pa×s | 349.56 | Calculated Property |
| η | 0.0006603 | Pa×s | 375.67 | Calculated Property |
| η | 0.0004942 | Pa×s | 401.79 | Calculated Property |
| η | 0.0003832 | Pa×s | 427.90 | Calculated Property |
| η | 0.0003059 | Pa×s | 454.02 | Calculated Property |
| η | 0.0002503 | Pa×s | 480.14 | Calculated Property |
| η | 0.0002091 | Pa×s | 506.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenepropanoic acid, methyl ester.
Sources
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