- InChI
- InChI=1S/C11H14O2/c1-3-11(12)13-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
- InChI Key
- WCIQNYOXLZQQMU-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- CCC(=O)OC(C)c1ccccc1
- Molecular Weight1
- 178.23
- CAS
- 120-45-6
- Other Names
-
- 1-Phenylethyl propionate
- Benzyl alcohol, «alpha»-methyl-, propionate
- Methylphenylcarbinyl propionate
- NSC 406571
- Phenylmethylcarbinyl propionate
- Propionic acid, «alpha»-methylbenzyl ester
- Styrallyl propionate
- «alpha»-Methylbenzyl alcohol, propionate
- «alpha»-Methylbenzyl propanoate
- «alpha»-Methylbenzyl propionate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- n0 : Refractive Index.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4732 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -358.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.701 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 2684.64 | kPa | Joback Calculated Property |
| Tboil | 472.36 | K | Relay (1.0) Calculated Property |
| Tc | 705.56 | K | Relay (1.0) Calculated Property |
| Tfus | 238.59 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [197.60; 476.95] | 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 | -1.72890e+01 | |||
| Coefficient B | 9.21040e-01 | |||
| Coefficient C | -5.14400e-04 | |||
| Coefficient D | 8.76000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 197.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 248.05 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 293.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 332.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 367.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 397.63 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 423.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 444.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 462.74 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 476.95 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0051094; 0.0001884] | Pa×s | [267.48; 522.89] |
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 | -1.20329e+01 | |||
| Coefficient B | 1.80716e+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. | 267.48 | |||
| Temperature range, max. | 522.89 | |||
| η | 0.0051094 | Pa×s | 267.48 | Calculated Property |
| η | 0.0026725 | Pa×s | 295.86 | Calculated Property |
| η | 0.0015658 | Pa×s | 324.24 | Calculated Property |
| η | 0.0009998 | Pa×s | 352.62 | Calculated Property |
| η | 0.0006826 | Pa×s | 381.00 | Calculated Property |
| η | 0.0004913 | Pa×s | 409.37 | Calculated Property |
| η | 0.0003690 | Pa×s | 437.75 | Calculated Property |
| η | 0.0002870 | Pa×s | 466.13 | Calculated Property |
| η | 0.0002298 | Pa×s | 494.51 | Calculated Property |
| η | 0.0001884 | Pa×s | 522.89 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenemethanol, «alpha»-methyl-, propanoate.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Ternary liquid liquid equilibria for mixtures of an ionic liquid + n-hexane + an organic compound involved in the kinetic resolution of rac-1-phenyl ethanol (rac-1-phenyl ethanol, vinyl propionate, rac-1-phenylethyl propionate or propionic acid) at 298.2K and atmospheric pressure
- Joback Method
- McGowan Method
- NIST Webbook
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