- InChI
- InChI=1S/C15H14O2/c16-15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2
- InChI Key
- MIYFJEKZLFWKLZ-UHFFFAOYSA-N
- Formula
- C15H14O2
- SMILES
- O=C(Cc1ccccc1)OCc1ccccc1
- Molecular Weight1
- 226.27
- CAS
- 102-16-9
- Other Names
-
- Acetic acid, phenyl-, benzyl ester
- Benzyl «alpha»-toluate
- Benzyl benzeneacetate
- Benzyl phenylacetate
- Phenylacetic acid, benzyl ester
- Benzylphenylacetate fcc
- 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 | 0.5692 | Relay (1.0) Calculated Property | |
| ΔfG° | 66.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -158.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.972 | Crippen Calculated Property | |
| McVol | 182.130 | ml/mol | McGowan Calculated Property |
| Pc | 2629.85 | kPa | Joback Calculated Property |
| Inp | [1772.40; 1818.00] |
|
|
| Inp | 1772.40 | NIST | |
| Inp | 1818.00 | NIST | |
| Inp | 1818.00 | NIST | |
| I | 2643.00 | NIST | |
| Tboil | 587.95 | K | Relay (1.0) Calculated Property |
| Tc | 845.70 | K | Relay (1.0) Calculated Property |
| Tfus | 293.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.672 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [466.75; 544.01] | J/mol×K | [672.25; 909.92] |
|
| Cp,gas | 466.75 | J/mol×K | 672.25 | Joback Calculated Property |
| Cp,gas | 482.53 | J/mol×K | 711.86 | Joback Calculated Property |
| Cp,gas | 497.08 | J/mol×K | 751.47 | Joback Calculated Property |
| Cp,gas | 510.44 | J/mol×K | 791.09 | Joback Calculated Property |
| Cp,gas | 522.68 | J/mol×K | 830.70 | Joback Calculated Property |
| Cp,gas | 533.85 | J/mol×K | 870.31 | Joback Calculated Property |
| Cp,gas | 544.01 | J/mol×K | 909.92 | Joback Calculated Property |
| η | [0.0001364; 0.0015219] | Pa×s | [383.81; 672.25] |
|
| η | 0.0015219 | Pa×s | 383.81 | Joback Calculated Property |
| η | 0.0008139 | Pa×s | 431.88 | Joback Calculated Property |
| η | 0.0004934 | Pa×s | 479.96 | Joback Calculated Property |
| η | 0.0003277 | Pa×s | 528.03 | Joback Calculated Property |
| η | 0.0002330 | Pa×s | 576.10 | Joback Calculated Property |
| η | 0.0001746 | Pa×s | 624.18 | Joback Calculated Property |
| η | 0.0001364 | Pa×s | 672.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneacetic acid, phenylmethyl ester.
Sources
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