- InChI
- InChI=1S/C11H14O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
- InChI Key
- GXXFZZLGPFNITM-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- CCCOC(=O)Cc1ccccc1
- Molecular Weight1
- 178.23
- Other Names
-
- Benzeneacetic acid, propyl ester
- Acetic acid, phenyl-, propyl ester
- Propyl benzeneacetate
- Propyl phenylacetate
- 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.
- Ip : 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 | 0.5291 | Relay (1.0) Calculated Property | |
| ΔfG° | -156.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -342.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.52 | 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 | [1300.00; 1331.02] |
|
|
| Inp | 1309.25 | NIST | |
| Inp | 1331.02 | NIST | |
| Inp | 1325.00 | NIST | |
| Inp | 1300.00 | NIST | |
| Inp | 1309.25 | NIST | |
| Ip | [1848.00; 1848.00] |
|
|
| Ip | 1848.00 | NIST | |
| Ip | 1848.00 | NIST | |
| Tboil | 520.17 | K | Relay (1.0) Calculated Property |
| Tc | 721.88 | K | Relay (1.0) Calculated Property |
| Tfus | 243.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.552 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [197.91; 476.41] | 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 | -1.56070e+01 | |||
| Coefficient B | 9.15120e-01 | |||
| Coefficient C | -5.11200e-04 | |||
| Coefficient D | 8.81000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 197.91 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 248.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 292.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 332.28 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 366.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 396.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 422.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 444.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 462.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 476.41 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0035695; 0.0002042] | Pa×s | [282.48; 520.02] |
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 | -1.18989e+01 | |||
| Coefficient B | 1.76934e+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. | 282.48 | |||
| Temperature range, max. | 520.02 | |||
| η | 0.0035695 | Pa×s | 282.48 | Calculated Property |
| η | 0.0020901 | Pa×s | 308.87 | Calculated Property |
| η | 0.0013314 | Pa×s | 335.27 | Calculated Property |
| η | 0.0009059 | Pa×s | 361.66 | Calculated Property |
| η | 0.0006495 | Pa×s | 388.05 | Calculated Property |
| η | 0.0004858 | Pa×s | 414.44 | Calculated Property |
| η | 0.0003762 | Pa×s | 440.84 | Calculated Property |
| η | 0.0002999 | Pa×s | 467.23 | Calculated Property |
| η | 0.0002449 | Pa×s | 493.62 | Calculated Property |
| η | 0.0002042 | Pa×s | 520.02 | Calculated Property |
Similar Compounds
Find more compounds similar to PHENYLACETIC ACID PROPYL ESTER.
Sources
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