Chemical Properties of 6-Bromohexanoic acid, 4-methoxyphenyl ester

InChI

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

InChI Key

JSVXNJVKIMSPGN-UHFFFAOYSA-N

Formula

C13H17BrO3

SMILES

COc1ccc(OC(=O)CCCCCBr)cc1

Molecular Weight¹

301.18

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, 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	[272.28; 604.13]	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			3.05650e+01
Coefficient B			1.02062e+00
Coefficient C			-5.13360e-04
Coefficient D			6.63000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	272.28	J/mol×K	273.00	Calculated Property
Cp,gas	330.32	J/mol×K	353.78	Calculated Property
Cp,gas	382.58	J/mol×K	434.56	Calculated Property
Cp,gas	429.27	J/mol×K	515.33	Calculated Property
Cp,gas	470.59	J/mol×K	596.11	Calculated Property
Cp,gas	506.76	J/mol×K	676.89	Calculated Property
Cp,gas	537.99	J/mol×K	757.67	Calculated Property
Cp,gas	564.49	J/mol×K	838.44	Calculated Property
Cp,gas	586.46	J/mol×K	919.22	Calculated Property
Cp,gas	604.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011217; 0.0001427]	Pa×s	[399.57; 620.61]	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			-1.25823e+01
Coefficient B			2.31327e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			399.57
Temperature range, max.			620.61
η	0.0011217	Pa×s	399.57	Calculated Property
η	0.0008022	Pa×s	424.13	Calculated Property
η	0.0005952	Pa×s	448.69	Calculated Property
η	0.0004554	Pa×s	473.25	Calculated Property
η	0.0003578	Pa×s	497.81	Calculated Property
η	0.0002876	Pa×s	522.37	Calculated Property
η	0.0002357	Pa×s	546.93	Calculated Property
η	0.0001966	Pa×s	571.49	Calculated Property
η	0.0001664	Pa×s	596.05	Calculated Property
η	0.0001427	Pa×s	620.61	Calculated Property

Similar Compounds

Find more compounds similar to 6-Bromohexanoic acid, 4-methoxyphenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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