- InChI
- InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
- InChI Key
- IWYDHOAUDWTVEP-UHFFFAOYSA-N
- Formula
- C8H8O3
- SMILES
- O=C(O)C(O)c1ccccc1
- Molecular Weight1
- 152.15
- CAS
- 90-64-2
- Other Names
-
- (.+/-.)-Mandelic acid
- (.+/-.)-alpha-Hydroxybenzeneacetic acid
- (RS)-Mandelic acid
- 114-21-6
- 2-Phenyl-2-hydroxyacetic acid
- 2-Phenylglycolic acid
- 530-31-4
- Almond acid
- Amygdalic acid
- Amygdalinic acid
- Benzeneacetic acid, «alpha»-hydroxy-
- Benzeneacetic acid, «alpha»-hydroxy-, (.+/-.)-
- Benzoglycolic acid
- DL-Hydroxy(phenyl)acetic acid
- Glycolic acid, phenyl-
- Hydroxy(phenyl)acetic acid
- Kyselina 2-fenyl-2-hydroxyethanova
- Kyselina mandlova
- NSC 7925
- Paramandelic acid
- Phenylglycolic acid
- Phenylhydroxyacetic acid
- Racemic mandelic acid
- Uromaline
- dl-Mandelic acid
- p-Mandelic acid
- «alpha»-Hydroxy-«alpha»-toluic acid
- «alpha»-Hydroxyphenylacetic acid
- «alpha»-Phenylhydroxyacetic acid
- «alpha»-Toluic acid, «alpha»-hydroxy-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -476.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.805 | Crippen Calculated Property | |
| McVol | 113.130 | ml/mol | McGowan Calculated Property |
| Inp | 1487.00 | NIST | |
| Tboil | 524.86 | K | Relay (1.0) Calculated Property |
| Tfus | [392.00; 394.15] | K |
|
| Tfus | 394.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 392.00 ± 1.50 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 199.20 | J/mol×K | 323.00 | NIST |
| ΔfusH | 25.52 | kJ/mol | 392.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [143.74; 343.52] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.00800e+01 | |||
| Coefficient B | 7.75600e-01 | |||
| Coefficient C | -5.48800e-04 | |||
| Coefficient D | 1.46800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 143.74 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 182.12 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 215.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 243.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 268.34 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 288.99 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 306.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 320.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 333.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 343.52 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024668; 0.0000995] | Pa×s | [393.07; 603.10] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.52231e+01 | |||
| Coefficient B | 3.62349e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 393.07 | |||
| Temperature range, max. | 603.10 | |||
| η | 0.0024668 | Pa×s | 393.07 | Calculated Property |
| η | 0.0014716 | Pa×s | 416.41 | Calculated Property |
| η | 0.0009273 | Pa×s | 439.75 | Calculated Property |
| η | 0.0006122 | Pa×s | 463.08 | Calculated Property |
| η | 0.0004206 | Pa×s | 486.42 | Calculated Property |
| η | 0.0002991 | Pa×s | 509.76 | Calculated Property |
| η | 0.0002191 | Pa×s | 533.09 | Calculated Property |
| η | 0.0001647 | Pa×s | 556.43 | Calculated Property |
| η | 0.0001268 | Pa×s | 579.77 | Calculated Property |
| η | 0.0000995 | Pa×s | 603.10 | Calculated Property |
Similar Compounds
Find more compounds similar to Mandelic acid.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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