Chemical Properties of Mandelic acid (CAS 90-64-2)

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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
Cp,solid	199.20	J/mol×K	323.00	NIST
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
ΔfusH	25.52	kJ/mol	392.00	NIST

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
• 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.
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