- InChI
- InChI=1S/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
- InChI Key
- HVGZQCSMLUDISR-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- CCC(=O)OCCc1ccccc1
- Molecular Weight1
- 178.23
- CAS
- 122-70-3
- Other Names
-
- 2-Phenethyl propionate
- 2-Phenyl ethyl propanoate
- 2-Phenylethanol, propanoate
- 2-phenylethyl propanoate
- 2-phenylethyl propionate
- Benzylcarbinyl propionate
- ENT 18544
- EcoPCO ACU
- NSC 404457
- Phenethyl alcohol, propionate
- Phenethyl propanoate
- Phenethyl propionate
- Phenylethyl n-propionate
- Phenylethyl propanoate
- Phenylethyl propionate
- Propionic acid, 2-phenylethyl ester
- Propionic acid, phenethyl ester
- «beta»-Phenylethyl propionate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- 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 | 0.5382 | Relay (1.0) Calculated Property | |
| ΔfG° | -156.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -330.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.182 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 2662.52 | kPa | Joback Calculated Property |
| Inp | [1309.00; 1356.00] |
|
|
| Inp | 1350.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1350.00 | NIST | |
| Inp | 1350.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1350.00 | NIST | |
| Inp | 1349.00 | NIST | |
| Inp | Outlier 1309.00 | NIST | |
| Inp | 1353.70 | NIST | |
| Inp | 1325.00 | NIST | |
| Inp | 1356.00 | NIST | |
| Inp | 1315.00 | NIST | |
| Inp | 1350.00 | NIST | |
| Inp | 1328.00 | NIST | |
| Inp | 1350.00 | NIST | |
| Inp | 1325.00 | NIST | |
| Inp | 1353.70 | NIST | |
| Inp | 1353.00 | NIST | |
| Tboil | 518.88 | K | Relay (1.0) Calculated Property |
| Tc | 721.92 | K | Relay (1.0) Calculated Property |
| Tfus | 234.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.556 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [341.68; 418.22] | J/mol×K | [536.18; 742.88] |
|
| Cp,gas | 341.68 | J/mol×K | 536.18 | Joback Calculated Property |
| Cp,gas | 356.50 | J/mol×K | 570.63 | Joback Calculated Property |
| Cp,gas | 370.47 | J/mol×K | 605.08 | Joback Calculated Property |
| Cp,gas | 383.60 | J/mol×K | 639.53 | Joback Calculated Property |
| Cp,gas | 395.93 | J/mol×K | 673.98 | Joback Calculated Property |
| Cp,gas | 407.46 | J/mol×K | 708.43 | Joback Calculated Property |
| Cp,gas | 418.22 | J/mol×K | 742.88 | Joback Calculated Property |
| η | [0.0001843; 0.0035695] | Pa×s | [282.48; 536.18] |
|
| η | 0.0035695 | Pa×s | 282.48 | Joback Calculated Property |
| η | 0.0015792 | Pa×s | 324.76 | Joback Calculated Property |
| η | 0.0008431 | Pa×s | 367.05 | Joback Calculated Property |
| η | 0.0005124 | Pa×s | 409.33 | Joback Calculated Property |
| η | 0.0003419 | Pa×s | 451.61 | Joback Calculated Property |
| η | 0.0002444 | Pa×s | 493.90 | Joback Calculated Property |
| η | 0.0001843 | Pa×s | 536.18 | Joback Calculated Property |
| ΔvapH | 65.60 | kJ/mol | 298.15 | Vapor pressures and vaporization enthalpies of a series of esters used in flavors by correlation gas chromatography |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-phenylethyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vapor pressures and vaporization enthalpies of a series of esters used in flavors by correlation gas chromatography
- Joback Method
- McGowan Method
- NIST Webbook
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