- InChI
- InChI=1S/C16H16O3/c1-2-19-15(17)16(18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,18H,2H2,1H3
- InChI Key
- AIPVNQQMYPWQSX-UHFFFAOYSA-N
- Formula
- C16H16O3
- SMILES
- CCOC(=O)C(O)(c1ccccc1)c1ccccc1
- Molecular Weight1
- 256.30
- CAS
- 52182-15-7
- Other Names
-
- Ethyl benzillate
- Ethyl diphenylglycolate
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.7451 | Relay (1.0) Calculated Property | |
| ΔfG° | -59.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -344.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.486 | Crippen Calculated Property | |
| McVol | 202.090 | ml/mol | McGowan Calculated Property |
| Pc | 2670.78 | kPa | Joback Calculated Property |
| Tboil | 594.10 | K | Relay (1.0) Calculated Property |
| Tc | 869.03 | K | Relay (1.0) Calculated Property |
| Tfus | 307.00 | K | NIST |
| Vc | 0.715 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [575.23; 637.76] | J/mol×K | [784.08; 1011.10] | 
|
| Cp,gas | 575.23 | J/mol×K | 784.08 | Joback Calculated Property |
| Cp,gas | 588.03 | J/mol×K | 821.92 | Joback Calculated Property |
| Cp,gas | 599.77 | J/mol×K | 859.75 | Joback Calculated Property |
| Cp,gas | 610.53 | J/mol×K | 897.59 | Joback Calculated Property |
| Cp,gas | 620.40 | J/mol×K | 935.42 | Joback Calculated Property |
| Cp,gas | 629.45 | J/mol×K | 973.26 | Joback Calculated Property |
| Cp,gas | 637.76 | J/mol×K | 1011.10 | Joback Calculated Property |
| η | [0.0000188; 0.0008545] | Pa×s | [458.32; 784.08] |
|
| η | 0.0008545 | Pa×s | 458.32 | Joback Calculated Property |
| η | 0.0003228 | Pa×s | 512.61 | Joback Calculated Property |
| η | 0.0001470 | Pa×s | 566.91 | Joback Calculated Property |
| η | 0.0000768 | Pa×s | 621.20 | Joback Calculated Property |
| η | 0.0000445 | Pa×s | 675.49 | Joback Calculated Property |
| η | 0.0000280 | Pa×s | 729.79 | Joback Calculated Property |
| η | 0.0000188 | Pa×s | 784.08 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [474.00; 474.20] | K | [2.80; 2.80] |
|
| Tboilr | 474.20 | K | 2.80 | NIST |
| Tboilr | 474.00 | K | 2.80 | NIST |
Similar Compounds
Find more compounds similar to Benzeneacetic acid, «alpha»-hydroxy-«alpha»-phenyl-, ethyl ester.
Sources
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