- InChI
- InChI=1S/C15H14O3/c1-12(16)17-11-13-6-5-9-15(10-13)18-14-7-3-2-4-8-14/h2-10H,11H2,1H3
- InChI Key
- XPHQNMNGUGOWGU-UHFFFAOYSA-N
- Formula
- C15H14O3
- SMILES
- CC(=O)OCc1cccc(Oc2ccccc2)c1
- Molecular Weight1
- 242.27
- CAS
- 50789-44-1
- Other Names
-
- Acetic acid, (3-phenoxyphenyl)methyl ester
- m-phenoxybenzyl acetate
- 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.
- 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 | 0.6275 | Relay (1.0) Calculated Property | |
| ΔfG° | -48.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -327.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.542 | Crippen Calculated Property | |
| McVol | 188.000 | ml/mol | McGowan Calculated Property |
| Pc | 2545.61 | kPa | Joback Calculated Property |
| Inp | [1918.00; 1918.00] |
|
|
| Inp | 1918.00 | NIST | |
| Inp | 1918.00 | NIST | |
| Tboil | 609.19 | K | Relay (1.0) Calculated Property |
| Tc | 846.66 | K | Relay (1.0) Calculated Property |
| Tfus | 287.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.688 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [491.63; 565.45] | J/mol×K | [699.65; 934.64] |
|
| Cp,gas | 491.63 | J/mol×K | 699.65 | Joback Calculated Property |
| Cp,gas | 506.76 | J/mol×K | 738.81 | Joback Calculated Property |
| Cp,gas | 520.73 | J/mol×K | 777.98 | Joback Calculated Property |
| Cp,gas | 533.56 | J/mol×K | 817.14 | Joback Calculated Property |
| Cp,gas | 545.27 | J/mol×K | 856.31 | Joback Calculated Property |
| Cp,gas | 555.89 | J/mol×K | 895.47 | Joback Calculated Property |
| Cp,gas | 565.45 | J/mol×K | 934.64 | Joback Calculated Property |
| η | [0.0001064; 0.0009037] | Pa×s | [418.56; 699.65] |
|
| η | 0.0009037 | Pa×s | 418.56 | Joback Calculated Property |
| η | 0.0005287 | Pa×s | 465.41 | Joback Calculated Property |
| η | 0.0003412 | Pa×s | 512.26 | Joback Calculated Property |
| η | 0.0002370 | Pa×s | 559.11 | Joback Calculated Property |
| η | 0.0001741 | Pa×s | 605.95 | Joback Calculated Property |
| η | 0.0001337 | Pa×s | 652.80 | Joback Calculated Property |
| η | 0.0001064 | Pa×s | 699.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenemethanol, 3-phenoxy-, acetate.
Sources
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