Chemical Properties of 3-(p-Methoxyphenyl)propionic acid (CAS 25173-37-9)

InChI

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

InChI Key

GNPISAHACGIXLZ-UHFFFAOYSA-N

Formula

C10H12O3

SMILES

Cc1ccc(OCCC(=O)O)cc1

Molecular Weight¹

180.20

CAS

25173-37-9

Other Names

• Propanoic acid, 3-(4-methylphenoxy)-

• 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).
• 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).
• 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 Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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	[191.94; 442.95]	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			4.29200e+00
Coefficient B			8.03020e-01
Coefficient C			-4.45960e-04
Coefficient D			8.16000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	191.94	J/mol×K	273.00	Calculated Property
Cp,gas	236.18	J/mol×K	353.78	Calculated Property
Cp,gas	275.73	J/mol×K	434.56	Calculated Property
Cp,gas	310.85	J/mol×K	515.33	Calculated Property
Cp,gas	341.80	J/mol×K	596.11	Calculated Property
Cp,gas	368.83	J/mol×K	676.89	Calculated Property
Cp,gas	392.20	J/mol×K	757.67	Calculated Property
Cp,gas	412.17	J/mol×K	838.44	Calculated Property
Cp,gas	429.00	J/mol×K	919.22	Calculated Property
Cp,gas	442.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016057; 0.0002065]	Pa×s	[376.90; 592.35]	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			-1.20729e+01
Coefficient B			2.12523e+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.			376.90
Temperature range, max.			592.35
η	0.0016057	Pa×s	376.90	Calculated Property
η	0.0011466	Pa×s	400.84	Calculated Property
η	0.0008504	Pa×s	424.78	Calculated Property
η	0.0006512	Pa×s	448.72	Calculated Property
η	0.0005123	Pa×s	472.66	Calculated Property
η	0.0004125	Pa×s	496.60	Calculated Property
η	0.0003388	Pa×s	520.54	Calculated Property
η	0.0002831	Pa×s	544.47	Calculated Property
η	0.0002402	Pa×s	568.41	Calculated Property
η	0.0002065	Pa×s	592.35	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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