Chemical Properties of 2-Ethylbutyric acid, 4-bromophenyl ester

InChI

InChI=1S/C12H15BrO2/c1-3-9(4-2)12(14)15-11-7-5-10(13)6-8-11/h5-9H,3-4H2,1-2H3

InChI Key

OFUWSWXSJNJDIU-UHFFFAOYSA-N

Formula

C12H15BrO2

SMILES

CCC(CC)C(=O)Oc1ccc(Br)cc1

Molecular Weight¹

271.15

• 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	[235.35; 534.57]	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			9.94740e-01
Coefficient C			-5.73160e-04
Coefficient D			1.08700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	235.35	J/mol×K	273.00	Calculated Property
Cp,gas	289.29	J/mol×K	353.78	Calculated Property
Cp,gas	337.25	J/mol×K	434.56	Calculated Property
Cp,gas	379.58	J/mol×K	515.33	Calculated Property
Cp,gas	416.62	J/mol×K	596.11	Calculated Property
Cp,gas	448.72	J/mol×K	676.89	Calculated Property
Cp,gas	476.22	J/mol×K	757.67	Calculated Property
Cp,gas	499.47	J/mol×K	838.44	Calculated Property
Cp,gas	518.81	J/mol×K	919.22	Calculated Property
Cp,gas	534.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021221; 0.0001746]	Pa×s	[351.07; 595.79]	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			-1.22363e+01
Coefficient B			2.13484e+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.			351.07
Temperature range, max.			595.79
η	0.0021221	Pa×s	351.07	Calculated Property
η	0.0013706	Pa×s	378.26	Calculated Property
η	0.0009387	Pa×s	405.45	Calculated Property
η	0.0006743	Pa×s	432.64	Calculated Property
η	0.0005036	Pa×s	459.83	Calculated Property
η	0.0003886	Pa×s	487.03	Calculated Property
η	0.0003082	Pa×s	514.22	Calculated Property
η	0.0002502	Pa×s	541.41	Calculated Property
η	0.0002072	Pa×s	568.60	Calculated Property
η	0.0001746	Pa×s	595.79	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylbutyric acid, 4-bromophenyl 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

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