Chemical Properties of 5-bromovaleric acid, octyl ester

InChI

InChI=1S/C13H25BrO2/c1-2-3-4-5-6-9-12-16-13(15)10-7-8-11-14/h2-12H2,1H3

InChI Key

WJGKHCBEUVDHNP-UHFFFAOYSA-N

Formula

C13H25BrO2

SMILES

CCCCCCCCOC(=O)CCCCBr

Molecular Weight¹

293.24

• 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	[311.58; 707.19]	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			2.46710e+01
Coefficient B			1.22222e+00
Coefficient C			-6.60200e-04
Coefficient D			1.20500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	311.58	J/mol×K	273.00	Calculated Property
Cp,gas	379.77	J/mol×K	353.78	Calculated Property
Cp,gas	441.01	J/mol×K	434.56	Calculated Property
Cp,gas	495.68	J/mol×K	515.33	Calculated Property
Cp,gas	544.17	J/mol×K	596.11	Calculated Property
Cp,gas	586.86	J/mol×K	676.89	Calculated Property
Cp,gas	624.12	J/mol×K	757.67	Calculated Property
Cp,gas	656.35	J/mol×K	838.44	Calculated Property
Cp,gas	683.91	J/mol×K	919.22	Calculated Property
Cp,gas	707.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027254; 0.0002063]	Pa×s	[338.40; 559.72]	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			-1.24330e+01
Coefficient B			2.20902e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			338.40
Temperature range, max.			559.72
η	0.0027254	Pa×s	338.40	Calculated Property
η	0.0017513	Pa×s	362.99	Calculated Property
η	0.0011904	Pa×s	387.58	Calculated Property
η	0.0008472	Pa×s	412.17	Calculated Property
η	0.0006265	Pa×s	436.76	Calculated Property
η	0.0004785	Pa×s	461.35	Calculated Property
η	0.0003755	Pa×s	485.95	Calculated Property
η	0.0003017	Pa×s	510.54	Calculated Property
η	0.0002473	Pa×s	535.13	Calculated Property
η	0.0002063	Pa×s	559.72	Calculated Property

Similar Compounds

Find more compounds similar to 5-bromovaleric acid, octyl ester.

Sources

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

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