Chemical Properties of Bromoacetic acid, pentyl ester (CAS 52034-03-4)

InChI

InChI=1S/C7H13BrO2/c1-2-3-4-5-10-7(9)6-8/h2-6H2,1H3

InChI Key

YOCUEALKMOVVAJ-UHFFFAOYSA-N

Formula

C7H13BrO2

SMILES

CCCCCOC(=O)CBr

Molecular Weight¹

209.08

CAS

52034-03-4

Other Names

• Acetic acid, bromo, pentyl ester
• Pentyl 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	[184.30; 397.65]	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			3.01250e+01
Coefficient B			6.52220e-01
Coefficient C			-3.33800e-04
Coefficient D			4.91000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	184.30	J/mol×K	273.00	Calculated Property
Cp,gas	221.26	J/mol×K	353.78	Calculated Property
Cp,gas	254.55	J/mol×K	434.56	Calculated Property
Cp,gas	284.31	J/mol×K	515.33	Calculated Property
Cp,gas	310.71	J/mol×K	596.11	Calculated Property
Cp,gas	333.89	J/mol×K	676.89	Calculated Property
Cp,gas	354.03	J/mol×K	757.67	Calculated Property
Cp,gas	371.26	J/mol×K	838.44	Calculated Property
Cp,gas	385.75	J/mol×K	919.22	Calculated Property
Cp,gas	397.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040636; 0.0003070]	Pa×s	[270.78; 471.25]	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			-1.15773e+01
Coefficient B			1.64406e+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.			270.78
Temperature range, max.			471.25
η	0.0040636	Pa×s	270.78	Calculated Property
η	0.0025615	Pa×s	293.05	Calculated Property
η	0.0017234	Pa×s	315.33	Calculated Property
η	0.0012218	Pa×s	337.60	Calculated Property
η	0.0009038	Pa×s	359.88	Calculated Property
η	0.0006925	Pa×s	382.15	Calculated Property
η	0.0005464	Pa×s	404.43	Calculated Property
η	0.0004420	Pa×s	426.70	Calculated Property
η	0.0003651	Pa×s	448.97	Calculated Property
η	0.0003070	Pa×s	471.25	Calculated Property

Similar Compounds

Find more compounds similar to Bromoacetic acid, pentyl ester.

Sources

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

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