Chemical Properties of Ethyl 2-bromotetradecanoate

InChI

InChI=1S/C16H31BrO2/c1-3-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19-4-2/h15H,3-14H2,1-2H3

InChI Key

JQQZIRFEGUUJBP-UHFFFAOYSA-N

Formula

C16H31BrO2

SMILES

CCCCCCCCCCCCC(Br)C(=O)OCC

Molecular Weight¹

335.33

Other Names

• Tetradecanoic acid, 2-bromo-, ethyl ester
• Ethyl «alpha»-bromomyristate

• 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).
• 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).
• 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, Ionization energy 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	[374.91; 862.50]	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			2.02620e+01
Coefficient B			1.51314e+00
Coefficient C			-8.26600e-04
Coefficient D			1.55700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	374.91	J/mol×K	273.00	Calculated Property
Cp,gas	459.02	J/mol×K	353.78	Calculated Property
Cp,gas	534.49	J/mol×K	434.56	Calculated Property
Cp,gas	601.82	J/mol×K	515.33	Calculated Property
Cp,gas	661.51	J/mol×K	596.11	Calculated Property
Cp,gas	714.05	J/mol×K	676.89	Calculated Property
Cp,gas	759.92	J/mol×K	757.67	Calculated Property
Cp,gas	799.63	J/mol×K	838.44	Calculated Property
Cp,gas	833.66	J/mol×K	919.22	Calculated Property
Cp,gas	862.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026081; 0.0001409]	Pa×s	[357.21; 607.67]	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			-1.30299e+01
Coefficient B			2.52932e+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.			357.21
Temperature range, max.			607.67
η	0.0026081	Pa×s	357.21	Calculated Property
η	0.0015634	Pa×s	385.04	Calculated Property
η	0.0010041	Pa×s	412.87	Calculated Property
η	0.0006820	Pa×s	440.70	Calculated Property
η	0.0004850	Pa×s	468.53	Calculated Property
η	0.0003583	Pa×s	496.36	Calculated Property
η	0.0002734	Pa×s	524.19	Calculated Property
η	0.0002143	Pa×s	552.02	Calculated Property
η	0.0001720	Pa×s	579.84	Calculated Property
η	0.0001409	Pa×s	607.67	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 2-bromotetradecanoate.

Sources

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

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