Chemical Properties of 3,3,3-Triphenylpropionic acid (CAS 900-91-4)

InChI

InChI=1S/C21H18O2/c22-20(23)16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,22,23)

InChI Key

XMSJLUKCGWQAHO-UHFFFAOYSA-N

Formula

C21H18O2

SMILES

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

Molecular Weight¹

302.37

CAS

900-91-4

Other Names

• 2-Triphenylmethyl acetic acid
• Benzenepropanoic acid, «beta»,«beta»-diphenyl-
• Tritylacetic 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).
• P_c : Critical Pressure (kPa).
• 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

Cheméo can also estimate Critical Temperature, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[291.36; 759.41]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.37789e+02
Coefficient B			1.93870e+00
Coefficient C			-1.45660e-03
Coefficient D			4.15100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	291.36	J/mol×K	273.00	Calculated Property
Cp,gas	384.15	J/mol×K	353.78	Calculated Property
Cp,gas	463.69	J/mol×K	434.56	Calculated Property
Cp,gas	531.27	J/mol×K	515.33	Calculated Property
Cp,gas	588.22	J/mol×K	596.11	Calculated Property
Cp,gas	635.85	J/mol×K	676.89	Calculated Property
Cp,gas	675.47	J/mol×K	757.67	Calculated Property
Cp,gas	708.40	J/mol×K	838.44	Calculated Property
Cp,gas	735.94	J/mol×K	919.22	Calculated Property
Cp,gas	759.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004179; 0.0000676]	Pa×s	[568.71; 818.34]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.37543e+01
Coefficient B			3.39754e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			568.71
Temperature range, max.			818.34
η	0.0004179	Pa×s	568.71	Calculated Property
η	0.0003165	Pa×s	596.45	Calculated Property
η	0.0002458	Pa×s	624.18	Calculated Property
η	0.0001950	Pa×s	651.92	Calculated Property
η	0.0001576	Pa×s	679.66	Calculated Property
η	0.0001296	Pa×s	707.39	Calculated Property
η	0.0001081	Pa×s	735.13	Calculated Property
η	0.0000914	Pa×s	762.87	Calculated Property
η	0.0000781	Pa×s	790.60	Calculated Property
η	0.0000676	Pa×s	818.34	Calculated Property

Similar Compounds

Find more compounds similar to 3,3,3-Triphenylpropionic acid.

Sources

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

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