Chemical Properties of 1-Butanol, 4-bromo-, acetate (CAS 4753-59-7)

InChI

InChI=1S/C6H11BrO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3

InChI Key

UOABIRUEGSGTSA-UHFFFAOYSA-N

Formula

C6H11BrO2

SMILES

CC(=O)OCCCCBr

Molecular Weight¹

195.05

CAS

4753-59-7

Other Names

• 4-Bromo-n-butyl acetate
• 4-Bromobutyl acetate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[163.09; 346.05]	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			3.10340e+01
Coefficient B			5.57220e-01
Coefficient C			-2.79400e-04
Coefficient D			3.72000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.09	J/mol×K	273.00	Calculated Property
Cp,gas	194.84	J/mol×K	353.78	Calculated Property
Cp,gas	223.47	J/mol×K	434.56	Calculated Property
Cp,gas	249.08	J/mol×K	515.33	Calculated Property
Cp,gas	271.79	J/mol×K	596.11	Calculated Property
Cp,gas	291.73	J/mol×K	676.89	Calculated Property
Cp,gas	309.01	J/mol×K	757.67	Calculated Property
Cp,gas	323.74	J/mol×K	838.44	Calculated Property
Cp,gas	336.05	J/mol×K	919.22	Calculated Property
Cp,gas	346.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0041890; 0.0003178]	Pa×s	[259.51; 456.71]	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			-1.14477e+01
Coefficient B			1.54990e+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.			259.51
Temperature range, max.			456.71
η	0.0041890	Pa×s	259.51	Calculated Property
η	0.0026312	Pa×s	281.42	Calculated Property
η	0.0017676	Pa×s	303.33	Calculated Property
η	0.0012528	Pa×s	325.24	Calculated Property
η	0.0009274	Pa×s	347.15	Calculated Property
η	0.0007115	Pa×s	369.06	Calculated Property
η	0.0005623	Pa×s	390.97	Calculated Property
η	0.0004556	Pa×s	412.88	Calculated Property
η	0.0003771	Pa×s	434.80	Calculated Property
η	0.0003178	Pa×s	456.71	Calculated Property

Similar Compounds

Find more compounds similar to 1-Butanol, 4-bromo-, acetate.

Sources

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

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