- InChI
- InChI=1S/C10H12O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
- InChI Key
- VHOMAPWVLKRQAZ-UHFFFAOYSA-N
- Formula
- C10H12O2
- SMILES
- CCC(=O)OCc1ccccc1
- Molecular Weight1
- 164.20
- CAS
- 122-63-4
- Other Names
-
- Benzyl n-propionate
- Benzyl propionate
- benzyl propanoate
- propionic acid, benzyl ester
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- γ : Surface Tension (N/m).
- 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 |
| log10WS | -2.47 | Crippen Calculated Property | |
| logPoct/wat | 2.140 | Crippen Calculated Property | |
| McVol | 135.440 | ml/mol | McGowan Calculated Property |
| Pc | 3082.99 | kPa | Joback Calculated Property |
| Inp | [1224.40; 1284.00] |
|
|
| Inp | 1230.40 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1272.00 | NIST | |
| Inp | 1284.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1266.00 | NIST | |
| Inp | 1255.00 | NIST | |
| Inp | 1224.40 | NIST | |
| Inp | 1225.00 | NIST | |
| Inp | 1224.40 | NIST | |
| Inp | 1227.90 | NIST | |
| Inp | 1237.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Inp | 1225.00 | NIST | |
| Inp | 1234.00 | NIST | |
| Inp | 1266.20 | NIST | |
| Inp | 1230.40 | NIST | |
| Inp | 1284.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Inp | 1225.00 | NIST | |
| I | [1766.00; 1791.00] |
|
|
| I | 1766.00 | NIST | |
| I | 1769.00 | NIST | |
| I | 1784.40 | NIST | |
| I | 1787.90 | NIST | |
| I | 1784.70 | NIST | |
| I | 1787.90 | NIST | |
| I | 1783.00 | NIST | |
| I | 1791.00 | NIST | |
| I | 1775.00 | NIST | |
| I | 1784.40 | NIST | |
| I | 1791.00 | NIST | |
| I | 1775.00 | NIST | |
| Tboil | 531.17 | K | Joback Calculated Property |
| 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 | [0.0015150; 0.0025500] | Pa×s | [288.15; 318.15] |
|
| η | 0.0025500 | Pa×s | 288.15 | Densiti... |
| η | 0.0021230 | Pa×s | 298.15 | Densiti... |
| η | 0.0017870 | Pa×s | 308.15 | Densiti... |
| η | 0.0015150 | Pa×s | 318.15 | Densiti... |
| ΔvapH | 59.00 | kJ/mol | 338.00 | NIST |
| ρl | 1027.60 | kg/m3 | 298.15 | Refract... |
| γ | [0.03; 0.04] | N/m | [288.15; 358.15] |
|
| γ | 0.04 | N/m | 288.15 | Densiti... |
| γ | 0.03 | N/m | 298.15 | Densiti... |
| γ | 0.03 | N/m | 308.15 | Densiti... |
| γ | 0.03 | N/m | 318.15 | Densiti... |
| γ | 0.03 | N/m | 328.15 | Densiti... |
| γ | 0.03 | N/m | 338.15 | Densiti... |
| γ | 0.03 | N/m | 348.15 | Densiti... |
| γ | 0.03 | N/m | 358.15 | Densiti... |
Similar Compounds
Find more compounds similar to Propanoic acid, phenylmethyl ester.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
- Densities and Viscosities of Binary Mixtures of Ethyl Acetoacetate, Ethyl Isovalerate, Methyl Benzoate, Benzyl Acetate, Ethyl Salicylate, and Benzyl Propionate with Ethanol at T ) (288.15, 298.15, 308.15, and 318.15) K
- Refractive Indices and Surface Tensions of Binary Mixtures of Ethyl Acetoacetate, Ethyl Isovalerate, Methyl Benzoate, Benzyl Acetate, Ethyl Salicylate, and Benzyl Propionate with Ethanol at (288.15, 298.15, 308.15, and 318.15) K
- Joback Method
- McGowan Method
- NIST Webbook
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