Chemical Properties of Diphenylacetic acid

InChI

InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)

InChI Key

PYHXGXCGESYPCW-UHFFFAOYSA-N

Formula

C14H12O2

SMILES

O=C(O)C(c1ccccc1)c1ccccc1

Molecular Weight¹

212.25

Other Names

• .alpha.-phenylbenzeneacetic acid
• .alpha.-phenylbenzeneethanoic acid
• 2,2-diphenylethanoic acid
• DPA
• acetic acid, diphenyl-
• benzeneacetic acid, .alpha.-phenyl-
• diphenylethanoic acid
• ethanoic acid, diphenyl-
• «alpha»,«alpha»-Diphenylacetic acid
• «alpha»-Toluic acid, «alpha»-phenyl-

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6667		Relay (1.0) Calculated Property
ΔfG°	23.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-214.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.26	kJ/mol	Joback Calculated Property
ΔvapH°	46.74	kJ/mol	NIST
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-3.22		Aq. Solubility Prediction
logPoct/wat	2.903		Crippen Calculated Property
McVol	168.040	ml/mol	McGowan Calculated Property
Pc	3314.37	kPa	Joback Calculated Property
Tboil	591.32	K	Relay (1.0) Calculated Property
Tc	895.14	K	Relay (1.0) Calculated Property
Tfus	[419.00; 420.75]	K
Tfus	420.30	K	The use of organic calibration standards in the enthalpy calibration of differential scanning calorimeters
Tfus	419.90	K	Aq. Solubility Prediction
Tfus	420.15 ± 1.00	K	NIST
Tfus	420.75 ± 0.20	K	NIST
Tfus	420.70 ± 1.50	K	NIST
Tfus	419.00 ± 3.00	K	NIST
Ttriple	420.44 ± 0.01	K	NIST
Vc	0.578	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[442.76; 503.12]	J/mol×K	[718.69; 948.69]
Cp,gas	442.76	J/mol×K	718.69	Joback Calculated Property
Cp,gas	455.12	J/mol×K	757.02	Joback Calculated Property
Cp,gas	466.48	J/mol×K	795.36	Joback Calculated Property
Cp,gas	476.88	J/mol×K	833.69	Joback Calculated Property
Cp,gas	486.41	J/mol×K	872.02	Joback Calculated Property
Cp,gas	495.13	J/mol×K	910.35	Joback Calculated Property
Cp,gas	503.12	J/mol×K	948.69	Joback Calculated Property
η	[0.0000405; 0.0026796]	Pa×s	[396.13; 718.69]
η	0.0026796	Pa×s	396.13	Joback Calculated Property
η	0.0008779	Pa×s	449.89	Joback Calculated Property
η	0.0003650	Pa×s	503.65	Joback Calculated Property
η	0.0001797	Pa×s	557.41	Joback Calculated Property
η	0.0001003	Pa×s	611.17	Joback Calculated Property
η	0.0000615	Pa×s	664.93	Joback Calculated Property
η	0.0000405	Pa×s	718.69	Joback Calculated Property
ΔfusH	[31.18; 31.25]	kJ/mol	[420.40; 420.40]
ΔfusH	31.18	kJ/mol	420.40	NIST
ΔfusH	31.25	kJ/mol	420.40	NIST
ΔfusH	31.25	kJ/mol	420.40	NIST

Similar Compounds

Find more compounds similar to Diphenylacetic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• The use of organic calibration standards in the enthalpy calibration of differential scanning calorimeters
• 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.