Chemical Properties of Bromoacetic acid, decyl ester (CAS 5436-93-1)

InChI

InChI=1S/C12H23BrO2/c1-2-3-4-5-6-7-8-9-10-15-12(14)11-13/h2-11H2,1H3

InChI Key

OMRFZIDOMSMRSP-UHFFFAOYSA-N

Formula

C12H23BrO2

SMILES

CCCCCCCCCCOC(=O)CBr

Molecular Weight¹

279.21

CAS

5436-93-1

Other Names

• Decyl 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	[290.37; 655.60]	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			2.55800e+01
Coefficient B			1.12722e+00
Coefficient C			-6.05800e-04
Coefficient D			1.08600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	290.37	J/mol×K	273.00	Calculated Property
Cp,gas	353.35	J/mol×K	353.78	Calculated Property
Cp,gas	409.93	J/mol×K	434.56	Calculated Property
Cp,gas	460.46	J/mol×K	515.33	Calculated Property
Cp,gas	505.26	J/mol×K	596.11	Calculated Property
Cp,gas	544.70	J/mol×K	676.89	Calculated Property
Cp,gas	579.11	J/mol×K	757.67	Calculated Property
Cp,gas	608.83	J/mol×K	838.44	Calculated Property
Cp,gas	634.21	J/mol×K	919.22	Calculated Property
Cp,gas	655.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029732; 0.0002249]	Pa×s	[327.13; 544.63]	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			-1.22830e+01
Coefficient B			2.11486e+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.			327.13
Temperature range, max.			544.63
η	0.0029732	Pa×s	327.13	Calculated Property
η	0.0019058	Pa×s	351.30	Calculated Property
η	0.0012936	Pa×s	375.46	Calculated Property
η	0.0009201	Pa×s	399.63	Calculated Property
η	0.0006804	Pa×s	423.80	Calculated Property
η	0.0005198	Pa×s	447.97	Calculated Property
η	0.0004082	Pa×s	472.13	Calculated Property
η	0.0003282	Pa×s	496.30	Calculated Property
η	0.0002693	Pa×s	520.47	Calculated Property
η	0.0002249	Pa×s	544.63	Calculated Property

Similar Compounds

Find more compounds similar to Bromoacetic acid, decyl ester.

Sources

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

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