Chemical Properties of Benzilic acid

InChI

InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)

InChI Key

UKXSKSHDVLQNKG-UHFFFAOYSA-N

Formula

C14H12O3

SMILES

O=C(O)C(O)(c1ccccc1)c1ccccc1

Molecular Weight¹

228.25

Other Names

• 2,2-Diphenyl-2-hydroxyacetic acid
• 2-Hydroxy-2,2-diphenylacetic acid
• Acide diphenylhydroxyacetique
• Benzeneacetic acid, «alpha»-hydroxy-«alpha»-phenyl-
• Benzylic acid
• Diphenylglycolic acid
• Diphenylhydroxyacetic acid
• Glycolic acid, diphenyl-
• Hydroxydiphenylacetic acid
• Mandelic acid, «alpha»-phenyl-
• NSC 2830
• «alpha»,«alpha»-Diphenyl-«alpha»-hydroxyacetic acid
• «alpha»,«alpha»-Diphenylglycolic acid
• «alpha»-Hydroxy-2,2-diphenylacetic acid
• «alpha»-Hydroxy-«alpha»-phenylbenzeneacetic acid
• «alpha»-Hydroxydiphenylacetic acid

• C_p,gas : Ideal gas 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_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).
• 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

Property	Value	Unit	Source
ΔfH°gas	-319.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.91	kJ/mol	Joback Calculated Property
ΔvapH°	78.98	kJ/mol	Relay (1.0) Calculated Property
IE	8.64	eV	Relay (1.0) Calculated Property
log10WS	-2.21		Aq. Solubility Prediction
logPoct/wat	2.007		Crippen Calculated Property
McVol	173.910	ml/mol	McGowan Calculated Property
Tboil	580.33	K	Relay (1.0) Calculated Property
Tfus	[422.00; 423.52]	K
Tfus	423.52	K	Aq. Solubility Prediction
Tfus	422.00 ± 3.00	K	NIST
Tfus	423.00 ± 3.00	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,gas	[492.99; 543.82]	J/mol×K	[807.74; 1046.48]
Cp,gas	492.99	J/mol×K	807.74	Joback Calculated Property
Cp,gas	503.21	J/mol×K	847.53	Joback Calculated Property
Cp,gas	512.57	J/mol×K	887.32	Joback Calculated Property
Cp,gas	521.20	J/mol×K	927.11	Joback Calculated Property
Cp,gas	529.20	J/mol×K	966.90	Joback Calculated Property
Cp,gas	536.70	J/mol×K	1006.69	Joback Calculated Property
Cp,gas	543.82	J/mol×K	1046.48	Joback Calculated Property
η	[0.0000200; 0.0003877]	Pa×s	[524.22; 807.74]
η	0.0003877	Pa×s	524.22	Joback Calculated Property
η	0.0001929	Pa×s	571.47	Joback Calculated Property
η	0.0001068	Pa×s	618.73	Joback Calculated Property
η	0.0000643	Pa×s	665.98	Joback Calculated Property
η	0.0000414	Pa×s	713.23	Joback Calculated Property
η	0.0000282	Pa×s	760.49	Joback Calculated Property
η	0.0000200	Pa×s	807.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzilic 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
• Joback Method
• Aqueous Solubility Prediction 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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