- 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
- 212.25
- Other Names
-
- .alpha.-phenylbenzeneacetic acid
- .alpha.-phenylbenzeneethanoic acid
- 2,2-diphenylethanoic acid
- DPA
- acetic acid, diphenyl-
- benzeneacetic acid, .alpha.-phenyl-
- diphenylethanoic acid
- ethanoic acid, diphenyl-
- «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° | -54.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -214.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.72 | 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 | 3076.16 | kPa | Joback Calculated Property |
| Tboil | 591.32 | K | Relay (1.0) Calculated Property |
| Tc | 896.97 | K | Relay (1.0) Calculated Property |
| Tfus | [419.00; 420.75] | K |
|
| Tfus | 420.30 | K | The use of organic calibration standards in the enthalpy calibration of differential scanning calorimeters |
| Tfus | 419.90 | K | Aq. Solubility Prediction |
| 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 | 0.583 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.44; 510.27] | J/mol×K | [718.35; 970.21] |
|
| Cp,gas | 445.44 | J/mol×K | 718.35 | Joback Calculated Property |
| Cp,gas | 458.92 | J/mol×K | 760.33 | Joback Calculated Property |
| Cp,gas | 471.19 | J/mol×K | 802.30 | Joback Calculated Property |
| Cp,gas | 482.36 | J/mol×K | 844.28 | Joback Calculated Property |
| Cp,gas | 492.52 | J/mol×K | 886.25 | Joback Calculated Property |
| Cp,gas | 501.79 | J/mol×K | 928.23 | Joback Calculated Property |
| Cp,gas | 510.27 | J/mol×K | 970.21 | Joback Calculated Property |
| η | [0.0001300; 0.0010912] | Pa×s | [445.98; 718.35] |
|
| η | 0.0010912 | Pa×s | 445.98 | Joback Calculated Property |
| η | 0.0006498 | Pa×s | 491.38 | Joback Calculated Property |
| η | 0.0004224 | Pa×s | 536.77 | Joback Calculated Property |
| η | 0.0002937 | Pa×s | 582.16 | Joback Calculated Property |
| η | 0.0002152 | Pa×s | 627.56 | Joback Calculated Property |
| η | 0.0001645 | Pa×s | 672.95 | Joback Calculated Property |
| η | 0.0001300 | Pa×s | 718.35 | 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 Diphenylacetic acid.
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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