Chemical Properties of Bromoacetic acid, hexadecyl ester (CAS 5454-48-8)

InChI

InChI=1S/C18H35BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-18(20)17-19/h2-17H2,1H3

InChI Key

BTHNTCJTOYZMCB-UHFFFAOYSA-N

Formula

C18H35BrO2

SMILES

CCCCCCCCCCCCCCCCOC(=O)CBr

Molecular Weight¹

363.37

CAS

5454-48-8

Other Names

• Hexadecyl bromoacetate

• 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	[417.65; 965.15]	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			2.01260e+01
Coefficient B			1.69722e+00
Coefficient C			-9.32200e-04
Coefficient D			1.80000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	417.65	J/mol×K	273.00	Calculated Property
Cp,gas	511.86	J/mol×K	353.78	Calculated Property
Cp,gas	596.40	J/mol×K	434.56	Calculated Property
Cp,gas	671.83	J/mol×K	515.33	Calculated Property
Cp,gas	738.73	J/mol×K	596.11	Calculated Property
Cp,gas	797.67	J/mol×K	676.89	Calculated Property
Cp,gas	849.21	J/mol×K	757.67	Calculated Property
Cp,gas	893.92	J/mol×K	838.44	Calculated Property
Cp,gas	932.38	J/mol×K	919.22	Calculated Property
Cp,gas	965.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016207; 0.0001209]	Pa×s	[394.75; 639.16]	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			-1.32136e+01
Coefficient B			2.67982e+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.			394.75
Temperature range, max.			639.16
η	0.0016207	Pa×s	394.75	Calculated Property
η	0.0010470	Pa×s	421.91	Calculated Property
η	0.0007130	Pa×s	449.06	Calculated Property
η	0.0005074	Pa×s	476.22	Calculated Property
η	0.0003745	Pa×s	503.38	Calculated Property
η	0.0002852	Pa×s	530.53	Calculated Property
η	0.0002230	Pa×s	557.69	Calculated Property
η	0.0001784	Pa×s	584.84	Calculated Property
η	0.0001456	Pa×s	612.00	Calculated Property
η	0.0001209	Pa×s	639.16	Calculated Property

Similar Compounds

Find more compounds similar to Bromoacetic acid, hexadecyl ester.

Sources

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

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