Chemical Properties of 2-Methyl-2-phenyl-3-hydroxypropanoic acid (CAS 4370-81-4)

InChI

InChI=1S/C10H12O3/c1-10(7-11,9(12)13)8-5-3-2-4-6-8/h2-6,11H,7H2,1H3,(H,12,13)

InChI Key

ISSYFABJJSOCQG-UHFFFAOYSA-N

Formula

C10H12O3

SMILES

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

Molecular Weight¹

180.20

CAS

4370-81-4

• ω : Acentric Factor.
• 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_c : Critical 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 Volume, Standard Gibbs free energy of formation 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	[185.03; 447.63]	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			-5.46890e+01
Coefficient B			1.08552e+00
Coefficient C			-8.26200e-04
Coefficient D			2.43000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	185.03	J/mol×K	273.00	Calculated Property
Cp,gas	236.70	J/mol×K	353.78	Calculated Property
Cp,gas	280.95	J/mol×K	434.56	Calculated Property
Cp,gas	318.56	J/mol×K	515.33	Calculated Property
Cp,gas	350.29	J/mol×K	596.11	Calculated Property
Cp,gas	376.90	J/mol×K	676.89	Calculated Property
Cp,gas	399.18	J/mol×K	757.67	Calculated Property
Cp,gas	417.88	J/mol×K	838.44	Calculated Property
Cp,gas	433.77	J/mol×K	919.22	Calculated Property
Cp,gas	447.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009263; 0.0000737]	Pa×s	[452.72; 633.51]	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			-1.58519e+01
Coefficient B			4.01453e+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.			452.72
Temperature range, max.			633.51
η	0.0009263	Pa×s	452.72	Calculated Property
η	0.0006355	Pa×s	472.81	Calculated Property
η	0.0004496	Pa×s	492.90	Calculated Property
η	0.0003268	Pa×s	512.98	Calculated Property
η	0.0002434	Pa×s	533.07	Calculated Property
η	0.0001851	Pa×s	553.16	Calculated Property
η	0.0001436	Pa×s	573.25	Calculated Property
η	0.0001133	Pa×s	593.34	Calculated Property
η	0.0000907	Pa×s	613.42	Calculated Property
η	0.0000737	Pa×s	633.51	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-2-phenyl-3-hydroxypropanoic acid.

Sources

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

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