- InChI
- InChI=1S/C11H14O3/c1-2-11(12)14-9-8-13-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
- InChI Key
- FKTSMIXZGPUSJB-UHFFFAOYSA-N
- Formula
- C11H14O3
- SMILES
- CCC(=O)OCCOc1ccccc1
- Molecular Weight1
- 194.23
- CAS
- 23495-12-7
- Other Names
-
- Ethanol, 2-phenoxy-, propionate
- 2-Phenoxyethyl propionate
- Ethyleneglycol monophenyl ether propionate
- Propionic acid, 2-phenoxyethyl ester
- 2-Phenoxyethanol propionate
- Phenyloxyethyl 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 | 0.6060 | Relay (1.0) Calculated Property | |
| ΔfG° | -261.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -462.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.019 | Crippen Calculated Property | |
| McVol | 155.400 | ml/mol | McGowan Calculated Property |
| Pc | 2616.41 | kPa | Joback Calculated Property |
| Inp | [1436.00; 1447.00] |
|
|
| Inp | 1436.00 | NIST | |
| Inp | 1447.00 | NIST | |
| Inp | 1447.00 | NIST | |
| Inp | 1436.00 | NIST | |
| I | [2126.00; 2126.00] |
|
|
| I | 2126.00 | NIST | |
| I | 2126.00 | NIST | |
| Tboil | 539.37 | K | Relay (1.0) Calculated Property |
| Tc | 734.01 | K | Relay (1.0) Calculated Property |
| Tfus | 283.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.584 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [213.32; 494.91] | 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 | 9.89300e+00 | |||
| Coefficient B | 8.51920e-01 | |||
| Coefficient C | -4.00200e-04 | |||
| Coefficient D | 3.33000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 213.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 262.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 307.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 347.19 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 382.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 413.51 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 440.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 462.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 480.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 494.91 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024995; 0.0001736] | Pa×s | [304.71; 534.30] |
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 | -1.21990e+01 | |||
| Coefficient B | 1.89143e+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. | 304.71 | |||
| Temperature range, max. | 534.30 | |||
| η | 0.0024995 | Pa×s | 304.71 | Calculated Property |
| η | 0.0015474 | Pa×s | 330.22 | Calculated Property |
| η | 0.0010262 | Pa×s | 355.73 | Calculated Property |
| η | 0.0007190 | Pa×s | 381.24 | Calculated Property |
| η | 0.0005267 | Pa×s | 406.75 | Calculated Property |
| η | 0.0004003 | Pa×s | 432.26 | Calculated Property |
| η | 0.0003137 | Pa×s | 457.77 | Calculated Property |
| η | 0.0002522 | Pa×s | 483.28 | Calculated Property |
| η | 0.0002073 | Pa×s | 508.79 | Calculated Property |
| η | 0.0001736 | Pa×s | 534.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethanol, 2-phenoxy-, propanoate.
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