- 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
-
- Benzeneacetic acid, «alpha»-hydroxy-
- «alpha»-Hydroxy-«alpha»-toluic acid
- «alpha»-Hydroxyphenylacetic acid
- p-Mandelic acid
- Almond acid
- Amygdalic acid
- Amygdalinic acid
- Phenylglycolic acid
- Phenylhydroxyacetic acid
- Uromaline
- dl-Mandelic acid
- «alpha»-Toluic acid, «alpha»-hydroxy-
- Glycolic acid, phenyl-
- Racemic mandelic acid
- Kyselina 2-fenyl-2-hydroxyethanova
- Kyselina mandlova
- Paramandelic acid
- «alpha»-Phenylhydroxyacetic acid
- Benzoglycolic acid
- Hydroxy(phenyl)acetic acid
- Benzeneacetic acid, «alpha»-hydroxy-, (.+/-.)-
- (.+/-.)-alpha-Hydroxybenzeneacetic acid
- (.+/-.)-Mandelic acid
- (RS)-Mandelic acid
- 2-Phenyl-2-hydroxyacetic acid
- 2-Phenylglycolic acid
- DL-Hydroxy(phenyl)acetic acid
- NSC 7925
- 114-21-6
- 530-31-4
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -276.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -394.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.39 | kJ/mol | Joback Calculated Property |
| log10WS | -1.10 | Crippen Calculated Property | |
| logPoct/wat | 0.805 | Crippen Calculated Property | |
| McVol | 113.130 | ml/mol | McGowan Calculated Property |
| Pc | 5102.04 | kPa | Joback Calculated Property |
| Inp | 1487.00 | NIST | |
| Tboil | 646.91 | K | Joback Calculated Property |
| Tc | 844.13 | K | Joback Calculated Property |
| Tfus | 392.00 ± 1.50 | K | NIST |
| Vc | 0.413 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [278.92; 319.12] | J/mol×K | [646.91; 844.13] | 
|
| Cp,gas | 278.92 | J/mol×K | 646.91 | Joback Calculated Property |
| Cp,gas | 286.85 | J/mol×K | 679.78 | Joback Calculated Property |
| Cp,gas | 294.26 | J/mol×K | 712.65 | Joback Calculated Property |
| Cp,gas | 301.16 | J/mol×K | 745.52 | Joback Calculated Property |
| Cp,gas | 307.59 | J/mol×K | 778.39 | Joback Calculated Property |
| Cp,gas | 313.57 | J/mol×K | 811.26 | Joback Calculated Property |
| Cp,gas | 319.12 | J/mol×K | 844.13 | Joback Calculated Property |
| Cp,solid | 199.20 | J/mol×K | 323.00 | NIST |
| η | [0.0000249; 0.0084829] | Pa×s | [362.91; 646.91] |
|
| η | 0.0084829 | Pa×s | 362.91 | Joback Calculated Property |
| η | 0.0018322 | Pa×s | 410.24 | Joback Calculated Property |
| η | 0.0005434 | Pa×s | 457.58 | Joback Calculated Property |
| η | 0.0002024 | Pa×s | 504.91 | Joback Calculated Property |
| η | 0.0000893 | Pa×s | 552.24 | Joback Calculated Property |
| η | 0.0000448 | Pa×s | 599.58 | Joback Calculated Property |
| η | 0.0000249 | Pa×s | 646.91 | Joback Calculated Property |
| ΔfusH | 25.52 | kJ/mol | 392.00 | NIST |
Similar Compounds
Find more compounds similar to Mandelic acid.
Sources
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