Chemical Properties of 2-Ethylbutyric acid, 4-bromo-2-methoxyphenyl ester

InChI

InChI=1S/C13H17BrO3/c1-4-9(5-2)13(15)17-11-7-6-10(14)8-12(11)16-3/h6-9H,4-5H2,1-3H3

InChI Key

DJJDARBLXWGICA-UHFFFAOYSA-N

Formula

C13H17BrO3

SMILES

CCC(CC)C(=O)Oc1ccc(Br)cc1OC

Molecular Weight¹

301.18

• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[274.52; 601.62]	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			4.31820e+01
Coefficient B			9.67060e-01
Coefficient C			-4.49520e-04
Coefficient D			4.09000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	274.52	J/mol×K	273.00	Calculated Property
Cp,gas	330.86	J/mol×K	353.78	Calculated Property
Cp,gas	381.89	J/mol×K	434.56	Calculated Property
Cp,gas	427.76	J/mol×K	515.33	Calculated Property
Cp,gas	468.58	J/mol×K	596.11	Calculated Property
Cp,gas	504.50	J/mol×K	676.89	Calculated Property
Cp,gas	535.63	J/mol×K	757.67	Calculated Property
Cp,gas	562.11	J/mol×K	838.44	Calculated Property
Cp,gas	584.06	J/mol×K	919.22	Calculated Property
Cp,gas	601.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010802; 0.0001291]	Pa×s	[397.09; 627.13]	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			-1.26223e+01
Coefficient B			2.29983e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			397.09
Temperature range, max.			627.13
η	0.0010802	Pa×s	397.09	Calculated Property
η	0.0007610	Pa×s	422.65	Calculated Property
η	0.0005580	Pa×s	448.21	Calculated Property
η	0.0004231	Pa×s	473.77	Calculated Property
η	0.0003300	Pa×s	499.33	Calculated Property
η	0.0002637	Pa×s	524.89	Calculated Property
η	0.0002151	Pa×s	550.45	Calculated Property
η	0.0001787	Pa×s	576.01	Calculated Property
η	0.0001508	Pa×s	601.57	Calculated Property
η	0.0001291	Pa×s	627.13	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylbutyric acid, 4-bromo-2-methoxyphenyl ester.

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

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.