Chemical Properties of Hippuric acid (CAS 495-69-2)

InChI

InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)

InChI Key

QIAFMBKCNZACKA-UHFFFAOYSA-N

Formula

C9H9NO3

SMILES

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

Molecular Weight¹

179.17

CAS

495-69-2

Other Names

• 2-(benzoylamino)acetic acid
• 2-Benzamidoacetic acid
• Acetic acid, (benzoylamino)-
• Acido ippurico
• Benzamidoacetic acid
• Benzenecarboxamide, N-carboxymethyl-
• Benzoylaminoacetic acid
• Benzoylglycin
• Benzoylglycine
• Benzoylglycocoll
• Glycine, N-benzoyl-
• N-Benzoylglycine
• NSC 9982
• Phenylcarbonylaminoacetic acid

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-4217.80 ± 1.60	kJ/mol	NIST
ΔfG°	-167.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-316.48	kJ/mol	Joback Calculated Property
ΔfH°solid	[-611.10; -607.50]	kJ/mol
ΔfH°solid	-607.50 ± 1.90	kJ/mol	NIST
ΔfH°solid	-608.90 ± 1.70	kJ/mol	NIST
ΔfH°solid	-609.53	kJ/mol	NIST
ΔfH°solid	-611.10 ± 1.30	kJ/mol	NIST
ΔfusH°	25.49	kJ/mol	Joback Calculated Property
ΔvapH°	74.51	kJ/mol	Joback Calculated Property
log10WS	-1.71		Aq. Sol...
logPoct/wat	0.501		Crippen Calculated Property
McVol	132.900	ml/mol	McGowan Calculated Property
Pc	4328.25	kPa	Joback Calculated Property
S°solid,1 bar	239.30	J/mol×K	NIST
Tboil	682.09	K	Joback Calculated Property
Tc	892.20	K	Joback Calculated Property
Tfus	474.32	K	Aq. Sol...
Vc	0.497	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[337.18; 382.84]	J/mol×K	[682.09; 892.20]
Cp,gas	337.18	J/mol×K	682.09	Joback Calculated Property
Cp,gas	346.36	J/mol×K	717.11	Joback Calculated Property
Cp,gas	354.86	J/mol×K	752.13	Joback Calculated Property
Cp,gas	362.73	J/mol×K	787.15	Joback Calculated Property
Cp,gas	370.00	J/mol×K	822.16	Joback Calculated Property
Cp,gas	376.69	J/mol×K	857.18	Joback Calculated Property
Cp,gas	382.84	J/mol×K	892.20	Joback Calculated Property
Cp,solid	[214.35; 217.00]	J/mol×K	[298.15; 298.40]
Cp,solid	217.00	J/mol×K	298.15	NIST
Cp,solid	214.35	J/mol×K	298.40	NIST

Similar Compounds

Find more compounds similar to Hippuric acid.

Mixtures

• Hippuric acid + Ethanol
• 1-Propanol + Hippuric acid
• Hippuric acid + 1-Butanol

Sources

• Crippen Method
• Measurement and Correlation of the Solubility of Pyrimethanil in Seven Monosolvents and Two Different Binary Mixed Solvents
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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