Chemical Properties of 2-(4-Formylphenyl)propanoic acid, methyl

InChI

InChI=1S/C11H12O3/c1-8(11(13)14-2)10-5-3-9(7-12)4-6-10/h3-8H,1-2H3

InChI Key

RBAQUIFHFPBFJL-UHFFFAOYSA-N

Formula

C11H12O3

SMILES

COC(=O)C(C)c1ccc(C=O)cc1

Molecular Weight¹

192.21

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• 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 Pressure, Critical Volume, Enthalpy of formation 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	[205.06; 464.69]	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			8.41000e+00
Coefficient B			8.36040e-01
Coefficient C			-4.40360e-04
Coefficient D			6.06000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.06	J/mol×K	273.00	Calculated Property
Cp,gas	251.75	J/mol×K	353.78	Calculated Property
Cp,gas	293.53	J/mol×K	434.56	Calculated Property
Cp,gas	330.60	J/mol×K	515.33	Calculated Property
Cp,gas	363.14	J/mol×K	596.11	Calculated Property
Cp,gas	391.35	J/mol×K	676.89	Calculated Property
Cp,gas	415.41	J/mol×K	757.67	Calculated Property
Cp,gas	435.53	J/mol×K	838.44	Calculated Property
Cp,gas	451.89	J/mol×K	919.22	Calculated Property
Cp,gas	464.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030093; 0.0002253]	Pa×s	[322.00; 563.29]	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			-1.18574e+01
Coefficient B			1.94853e+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.			322.00
Temperature range, max.			563.29
η	0.0030093	Pa×s	322.00	Calculated Property
η	0.0018900	Pa×s	348.81	Calculated Property
η	0.0012685	Pa×s	375.62	Calculated Property
η	0.0008979	Pa×s	402.43	Calculated Property
η	0.0006635	Pa×s	429.24	Calculated Property
η	0.0005081	Pa×s	456.05	Calculated Property
η	0.0004008	Pa×s	482.86	Calculated Property
η	0.0003242	Pa×s	509.67	Calculated Property
η	0.0002678	Pa×s	536.48	Calculated Property
η	0.0002253	Pa×s	563.29	Calculated Property

Similar Compounds

Find more compounds similar to 2-(4-Formylphenyl)propanoic acid, methyl.

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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