Chemical Properties of Benzeneacetic acid, «alpha»-phenyl- (CAS 117-34-0)

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

212.24

CAS

117-34-0

Other Names

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

• 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).
• 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
ΔfG°	23.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-129.32	kJ/mol	Joback Calculated Property
ΔfusH°	22.26	kJ/mol	Joback Calculated Property
ΔvapH°	46.74	kJ/mol	NIST
log10WS	-3.22		Aq. Sol...
logPoct/wat	2.903		Crippen Calculated Property
McVol	168.040	ml/mol	McGowan Calculated Property
Pc	3314.37	kPa	Joback Calculated Property
Tboil	718.69	K	Joback Calculated Property
Tc	948.69	K	Joback Calculated Property
Tfus	[419.00; 420.75]	K
Tfus	419.90	K	Aq. Sol...
Tfus	420.30	K	The use...
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	0.623	m3/kmol	Joback 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 Benzeneacetic acid, «alpha»-phenyl-.

Sources

• 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

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