- InChI
- InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)
- InChI Key
- PYHXGXCGESYPCW-UHFFFAOYSA-N
- Formula
- C14H12O2
- SMILES
- O=C(O)C(c1ccccc1)c1ccccc1
- Molecular Weight1
- 212.24
- CAS
- 117-34-0
- Other Names
-
- .alpha.-phenylbenzeneacetic acid
- .alpha.-phenylbenzeneethanoic acid
- 2,2-diphenylethanoic acid
- Acetic acid, diphenyl-
- DPA
- Diphenylacetic acid
- Diphenylethanoic acid
- benzeneacetic acid, .alpha.-phenyl-
- ethanoic acid, diphenyl-
- «alpha»,«alpha»-Diphenylacetic acid
- «alpha»-Toluic acid, «alpha»-phenyl-
- «alpha»,«alpha»-Diphenylacetic acid
- «alpha»-Toluic acid, «alpha»-phenyl-
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 0.6667 | Relay (1.0) Calculated Property | |
| ΔfG° | 23.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -214.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.74 | kJ/mol | NIST |
| IE | 8.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.22 | Aq. Solubility Prediction | |
| logPoct/wat | 2.903 | Crippen Calculated Property | |
| McVol | 168.040 | ml/mol | McGowan Calculated Property |
| Pc | 3314.37 | kPa | Joback Calculated Property |
| Tboil | 591.32 | K | Relay (1.0) Calculated Property |
| Tc | 895.14 | K | Relay (1.0) Calculated Property |
| Tfus | [419.00; 420.75] | K |
|
| Tfus | 419.90 | K | Aq. Solubility Prediction |
| Tfus | 420.30 | K | The use of organic calibration standards in the enthalpy calibration of differential scanning calorimeters |
| Tfus | 420.15 ± 1.00 | K | NIST |
| Tfus | 420.75 ± 0.20 | K | NIST |
| Tfus | 420.70 ± 1.50 | K | NIST |
| Tfus | 419.00 ± 3.00 | K | NIST |
| Ttriple | 420.44 ± 0.01 | K | NIST |
| Vc | 0.578 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [442.76; 503.12] | J/mol×K | [718.69; 948.69] |
|
| Cp,gas | 442.76 | J/mol×K | 718.69 | Joback Calculated Property |
| Cp,gas | 455.12 | J/mol×K | 757.02 | Joback Calculated Property |
| Cp,gas | 466.48 | J/mol×K | 795.36 | Joback Calculated Property |
| Cp,gas | 476.88 | J/mol×K | 833.69 | Joback Calculated Property |
| Cp,gas | 486.41 | J/mol×K | 872.02 | Joback Calculated Property |
| Cp,gas | 495.13 | J/mol×K | 910.35 | Joback Calculated Property |
| Cp,gas | 503.12 | J/mol×K | 948.69 | Joback Calculated Property |
| η | [0.0000405; 0.0026796] | Pa×s | [396.13; 718.69] |
|
| η | 0.0026796 | Pa×s | 396.13 | Joback Calculated Property |
| η | 0.0008779 | Pa×s | 449.89 | Joback Calculated Property |
| η | 0.0003650 | Pa×s | 503.65 | Joback Calculated Property |
| η | 0.0001797 | Pa×s | 557.41 | Joback Calculated Property |
| η | 0.0001003 | Pa×s | 611.17 | Joback Calculated Property |
| η | 0.0000615 | Pa×s | 664.93 | Joback Calculated Property |
| η | 0.0000405 | Pa×s | 718.69 | Joback Calculated Property |
| ΔfusH | [31.18; 31.25] | kJ/mol | [420.40; 420.40] |
|
| ΔfusH | 31.18 | kJ/mol | 420.40 | NIST |
| ΔfusH | 31.25 | kJ/mol | 420.40 | NIST |
| ΔfusH | 31.25 | kJ/mol | 420.40 | NIST |
Similar Compounds
Find more compounds similar to Benzeneacetic acid, «alpha»-phenyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- The use of organic calibration standards in the enthalpy calibration of differential scanning calorimeters
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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