Chemical Properties of 3-(3-Hydroxyphenyl)propionic acid (CAS 621-54-5)

InChI

InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)

InChI Key

QVWAEZJXDYOKEH-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

O=C(O)CCc1cccc(O)c1

Molecular Weight¹

166.17

CAS

621-54-5

Other Names

• 3-(m-Hydroxyphenyl)propionic acid
• 3-Hydroxybenzenepropanoic acid
• 3-Hydroxyphenylpropionic acid
• Benzenepropanoic acid, 3-hydroxy-
• Dihydro-m-coumaric acid
• Hydrocinnamic acid, m-hydroxy-
• NSC 33135
• NSC 39468
• m-Hydroxyphenylpropionic acid
• «beta»-(3-Hydroxyphenyl)propionic acid
• «beta»-(m-Hydroxyphenyl)propionic 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_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, 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	[169.66; 398.32]	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			-4.35180e+01
Coefficient B			9.85300e-01
Coefficient C			-8.25960e-04
Coefficient D			2.82500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	169.66	J/mol×K	273.00	Calculated Property
Cp,gas	214.19	J/mol×K	353.78	Calculated Property
Cp,gas	251.86	J/mol×K	434.56	Calculated Property
Cp,gas	283.55	J/mol×K	515.33	Calculated Property
Cp,gas	310.17	J/mol×K	596.11	Calculated Property
Cp,gas	332.60	J/mol×K	676.89	Calculated Property
Cp,gas	351.73	J/mol×K	757.67	Calculated Property
Cp,gas	368.47	J/mol×K	838.44	Calculated Property
Cp,gas	383.70	J/mol×K	919.22	Calculated Property
Cp,gas	398.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031852; 0.0000373]	Pa×s	[385.15; 624.18]	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			-1.73630e+01
Coefficient B			4.47302e+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.			385.15
Temperature range, max.			624.18
η	0.0031852	Pa×s	385.15	Calculated Property
η	0.0015058	Pa×s	411.71	Calculated Property
η	0.0007795	Pa×s	438.27	Calculated Property
η	0.0004351	Pa×s	464.83	Calculated Property
η	0.0002586	Pa×s	491.39	Calculated Property
η	0.0001622	Pa×s	517.95	Calculated Property
η	0.0001064	Pa×s	544.51	Calculated Property
η	0.0000726	Pa×s	571.06	Calculated Property
η	0.0000513	Pa×s	597.62	Calculated Property
η	0.0000373	Pa×s	624.18	Calculated Property

Similar Compounds

Find more compounds similar to 3-(3-Hydroxyphenyl)propionic acid.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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