Chemical Properties of Benzoylformic acid (CAS 611-73-4)

InChI

InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)

InChI Key

FAQJJMHZNSSFSM-UHFFFAOYSA-N

Formula

C8H6O3

SMILES

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

Molecular Weight¹

150.13

CAS

611-73-4

Other Names

• Phenylglyoxylic acid
• Benzeneacetic acid, «alpha»-oxo-
• «alpha»-Ketophenylacetic acid
• Benzeneglyoxylic acid
• Formic acid, benzoyl-
• Glyoxylic acid, phenyl-
• Oxophenylacetic acid
• Phenylgloxylic acid
• 2-Oxo-2-phenylacetic acid

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid 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).
• η : Dynamic viscosity (Pa×s).
• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• P_c : Critical Pressure (kPa).
• 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
ω	0.7028		Relay (1.0) Calculated Property
ΔcH°solid	-3518.35 ± 0.70	kJ/mol	NIST
ΔfG°	-343.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-388.70 ± 1.00	kJ/mol	NIST
ΔfH°solid	-487.22 ± 0.80	kJ/mol	NIST
ΔfusH°	22.26	kJ/mol	Joback Calculated Property
ΔsubH°	[98.50; 98.50]	kJ/mol
ΔsubH°	98.50	kJ/mol	NIST
ΔsubH°	98.50	kJ/mol	NIST
ΔvapH°	71.85	kJ/mol	Relay (1.0) Calculated Property
IE	9.42	eV	Relay (1.0) Calculated Property
log10WS	-1.18		Relay (1.0) Calculated Property
logPoct/wat	0.954		Crippen Calculated Property
McVol	108.830	ml/mol	McGowan Calculated Property
Pc	4426.72	kPa	Joback Calculated Property
Tboil	546.60	K	Relay (1.0) Calculated Property
Tc	789.78	K	Relay (1.0) Calculated Property
Tfus	[338.90; 338.90]	K
Tfus	338.90 ± 0.50	K	NIST
Tfus	338.90 ± 0.50	K	NIST
Vc	0.398	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[249.46; 294.62]	J/mol×K	[608.70; 844.66]
Cp,gas	249.46	J/mol×K	608.70	Joback Calculated Property
Cp,gas	258.74	J/mol×K	648.03	Joback Calculated Property
Cp,gas	267.25	J/mol×K	687.35	Joback Calculated Property
Cp,gas	275.05	J/mol×K	726.68	Joback Calculated Property
Cp,gas	282.18	J/mol×K	766.01	Joback Calculated Property
Cp,gas	288.69	J/mol×K	805.33	Joback Calculated Property
Cp,gas	294.62	J/mol×K	844.66	Joback Calculated Property
Cp,solid	192.90	J/mol×K	298.15	NIST
η	[0.0002622; 0.0012947]	Pa×s	[416.87; 608.70]
η	0.0012947	Pa×s	416.87	Joback Calculated Property
η	0.0009024	Pa×s	448.84	Joback Calculated Property
η	0.0006599	Pa×s	480.81	Joback Calculated Property
η	0.0005018	Pa×s	512.78	Joback Calculated Property
η	0.0003941	Pa×s	544.76	Joback Calculated Property
η	0.0003178	Pa×s	576.73	Joback Calculated Property
η	0.0002622	Pa×s	608.70	Joback Calculated Property
ΔfusH	21.80	kJ/mol	338.90	NIST

Similar Compounds

Find more compounds similar to Benzoylformic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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