Chemical Properties of Benzenepropanoic acid, 4-methoxy-, methyl ester (CAS 15823-04-8)

InChI

InChI=1S/C11H14O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-4,6-7H,5,8H2,1-2H3

InChI Key

AKQLYAFBUYHFCK-UHFFFAOYSA-N

Formula

C11H14O3

SMILES

COC(=O)CCc1ccc(OC)cc1

Molecular Weight¹

194.23

CAS

15823-04-8

Other Names

• Hydrocinnamic acid, p-methoxy-, methyl ester
• Methyl 3-(p-methoxyphenyl)-propionate
• Methyl 3-(4-methoxyphenyl)propanoate
• Methyl 3-(4-methoxyphenyl)-propionate
• Propanoic acid, 3-(4-methoxyphenyl), methyl ester

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[215.87; 491.87]	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			2.41920e+01
Coefficient B			7.92440e-01
Coefficient C			-3.33160e-04
Coefficient D			8.40000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	215.87	J/mol×K	273.00	Calculated Property
Cp,gas	263.21	J/mol×K	353.78	Calculated Property
Cp,gas	306.33	J/mol×K	434.56	Calculated Property
Cp,gas	345.24	J/mol×K	515.33	Calculated Property
Cp,gas	379.97	J/mol×K	596.11	Calculated Property
Cp,gas	410.54	J/mol×K	676.89	Calculated Property
Cp,gas	437.00	J/mol×K	757.67	Calculated Property
Cp,gas	459.35	J/mol×K	838.44	Calculated Property
Cp,gas	477.63	J/mol×K	919.22	Calculated Property
Cp,gas	491.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018286; 0.0001686]	Pa×s	[317.23; 538.51]	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			-1.21050e+01
Coefficient B			1.84017e+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.			317.23
Temperature range, max.			538.51
η	0.0018286	Pa×s	317.23	Calculated Property
η	0.0012048	Pa×s	341.82	Calculated Property
η	0.0008395	Pa×s	366.40	Calculated Property
η	0.0006122	Pa×s	390.99	Calculated Property
η	0.0004634	Pa×s	415.58	Calculated Property
η	0.0003618	Pa×s	440.16	Calculated Property
η	0.0002900	Pa×s	464.75	Calculated Property
η	0.0002377	Pa×s	489.34	Calculated Property
η	0.0001986	Pa×s	513.92	Calculated Property
η	0.0001686	Pa×s	538.51	Calculated Property

Similar Compounds

Find more compounds similar to Benzenepropanoic acid, 4-methoxy-, methyl ester.

Sources

• 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.
These property values are available through the Cheméo API. A free account gives you an access key.