Chemical Properties of 4-Bromobutanoic acid, oct-3-en-2-yl ester

InChI

InChI=1S/C12H21BrO2/c1-3-4-5-6-8-11(2)15-12(14)9-7-10-13/h6,8,11H,3-5,7,9-10H2,1-2H3/b8-6+

InChI Key

YGSZKEKARQJBAA-SOFGYWHQSA-N

Formula

C12H21BrO2

SMILES

CCCC/C=C/C(C)OC(=O)CCCBr

Molecular Weight¹

277.20

• 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).
• 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).
• T_c : Critical 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 Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[276.05; 625.56]	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			9.71600e+00
Coefficient B			1.15314e+00
Coefficient C			-6.92800e-04
Coefficient D			1.55500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	276.05	J/mol×K	273.00	Calculated Property
Cp,gas	337.85	J/mol×K	353.78	Calculated Property
Cp,gas	392.75	J/mol×K	434.56	Calculated Property
Cp,gas	441.26	J/mol×K	515.33	Calculated Property
Cp,gas	483.87	J/mol×K	596.11	Calculated Property
Cp,gas	521.06	J/mol×K	676.89	Calculated Property
Cp,gas	553.34	J/mol×K	757.67	Calculated Property
Cp,gas	581.18	J/mol×K	838.44	Calculated Property
Cp,gas	605.09	J/mol×K	919.22	Calculated Property
Cp,gas	625.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037847; 0.0001717]	Pa×s	[307.05; 554.35]	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			-1.25103e+01
Coefficient B			2.12892e+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.			307.05
Temperature range, max.			554.35
η	0.0037847	Pa×s	307.05	Calculated Property
η	0.0021414	Pa×s	334.53	Calculated Property
η	0.0013210	Pa×s	362.01	Calculated Property
η	0.0008724	Pa×s	389.48	Calculated Property
η	0.0006085	Pa×s	416.96	Calculated Property
η	0.0004438	Pa×s	444.44	Calculated Property
η	0.0003358	Pa×s	471.92	Calculated Property
η	0.0002620	Pa×s	499.40	Calculated Property
η	0.0002098	Pa×s	526.87	Calculated Property
η	0.0001717	Pa×s	554.35	Calculated Property

Similar Compounds

Find more compounds similar to 4-Bromobutanoic acid, oct-3-en-2-yl 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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