- InChI
- InChI=1S/C11H14O3/c1-3-11(12)14-8-9-4-6-10(13-2)7-5-9/h4-7H,3,8H2,1-2H3
- InChI Key
- YWIJRJQYADFRTL-UHFFFAOYSA-N
- Formula
- C11H14O3
- SMILES
- CCC(=O)OCc1ccc(OC)cc1
- Molecular Weight1
- 194.23
- Other Names
-
- Benzenemethanol, 4-methoxy-, propanoate
- p-Methoxybenzyl propionate
- Benzyl alcohol, p-methoxy-, 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).
- 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 | 0.6084 | Relay (1.0) Calculated Property | |
| ΔfG° | -270.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -451.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.148 | Crippen Calculated Property | |
| McVol | 155.400 | ml/mol | McGowan Calculated Property |
| Pc | 2576.72 | kPa | Joback Calculated Property |
| Inp | [1482.00; 1482.00] |
|
|
| Inp | 1482.00 | NIST | |
| Inp | 1482.00 | NIST | |
| I | [2175.00; 2205.00] |
|
|
| I | 2175.00 | NIST | |
| I | 2205.00 | NIST | |
| I | 2205.00 | NIST | |
| Tboil | 537.15 | K | Relay (1.0) Calculated Property |
| Tc | 737.30 | K | Relay (1.0) Calculated Property |
| Tfus | 271.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.579 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.87; 491.87] | 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 | 2.41920e+01 | |||
| Coefficient B | 7.92440e-01 | |||
| Coefficient C | -3.33160e-04 | |||
| Coefficient D | 8.40000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 215.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 263.21 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 306.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 345.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 379.97 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 410.54 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 437.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 459.35 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 477.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 491.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018286; 0.0001686] | Pa×s | [317.23; 538.51] |
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 | -1.21050e+01 | |||
| Coefficient B | 1.84017e+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. | 317.23 | |||
| Temperature range, max. | 538.51 | |||
| η | 0.0018286 | Pa×s | 317.23 | Calculated Property |
| η | 0.0012048 | Pa×s | 341.82 | Calculated Property |
| η | 0.0008395 | Pa×s | 366.40 | Calculated Property |
| η | 0.0006122 | Pa×s | 390.99 | Calculated Property |
| η | 0.0004634 | Pa×s | 415.58 | Calculated Property |
| η | 0.0003618 | Pa×s | 440.16 | Calculated Property |
| η | 0.0002900 | Pa×s | 464.75 | Calculated Property |
| η | 0.0002377 | Pa×s | 489.34 | Calculated Property |
| η | 0.0001986 | Pa×s | 513.92 | Calculated Property |
| η | 0.0001686 | Pa×s | 538.51 | Calculated Property |
Similar Compounds
Find more compounds similar to Anisyl propionate.
Sources
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