- 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
- 611-72-3
- Other Names
-
- (+)-(S)-mandelic acid
- (+)-mandelic acid
- (.+/-.)-Mandelic acid
- (.+/-.)-alpha-Hydroxybenzeneacetic acid
- (RS)-Mandelic acid
- (S)-(+)-mandelic acid
- (S)-.alpha.-hydroxybenzeneacetic acid
- (S)-2-hydroxy-2-phenylacetic acid
- (S)-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
- L-(+)-mandelate
- L-(+)-mandelic acid
- L-mandelic acid
- NSC 7925
- Paramandelic acid
- Phenylglycolic acid
- Phenylhydroxyacetic acid
- Racemic mandelic acid
- S-(+)-mandelic acid
- Uromaline
- benzeneacetic acid, .alpha.-hydroxy-, (S)-
- dl-Mandelic acid
- ethanoic acid, 2-hydroxy-2-phenyl-, (S)-
- mandelic acid, L-(+)-
- p-Mandelic acid
- «alpha»-Hydroxy-«alpha»-toluic acid
- «alpha»-Hydroxyphenylacetic acid
- «alpha»-Phenylhydroxyacetic acid
- «alpha»-Toluic acid, «alpha»-hydroxy-
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas 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).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -3712.00 ± 0.80 | kJ/mol | NIST |
| 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 |
| Tboil | 524.86 | K | Relay (1.0) Calculated Property |
| Tfus | 407.70 | K | Experimental and theoretical thermodynamic properties of RS-(+-)- and S-(+)-mandelic acids |
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,gas | [281.65; 324.66] | J/mol×K | [646.57; 861.58] | 
|
| Cp,gas | 281.65 | J/mol×K | 646.57 | Joback Calculated Property |
| Cp,gas | 290.28 | J/mol×K | 682.40 | Joback Calculated Property |
| Cp,gas | 298.27 | J/mol×K | 718.24 | Joback Calculated Property |
| Cp,gas | 305.66 | J/mol×K | 754.07 | Joback Calculated Property |
| Cp,gas | 312.50 | J/mol×K | 789.91 | Joback Calculated Property |
| Cp,gas | 318.82 | J/mol×K | 825.74 | Joback Calculated Property |
| Cp,gas | 324.66 | J/mol×K | 861.58 | Joback Calculated Property |
| η | [0.0000665; 0.0015893] | Pa×s | [412.76; 646.57] |
|
| η | 0.0015893 | Pa×s | 412.76 | Joback Calculated Property |
| η | 0.0007453 | Pa×s | 451.73 | Joback Calculated Property |
| η | 0.0003942 | Pa×s | 490.70 | Joback Calculated Property |
| η | 0.0002289 | Pa×s | 529.66 | Joback Calculated Property |
| η | 0.0001433 | Pa×s | 568.63 | Joback Calculated Property |
| η | 0.0000952 | Pa×s | 607.60 | Joback Calculated Property |
| η | 0.0000665 | Pa×s | 646.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Mandelic acid.
Sources
- 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
- Experimental and theoretical thermodynamic properties of RS-(+-)- and S-(+)-mandelic acids
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.