Chemical Properties of Hexanoic acid, 2-bromo- (CAS 616-05-7)

InChI

InChI=1S/C6H11BrO2/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)

InChI Key

HZTPKMIMXLTOSK-UHFFFAOYSA-N

Formula

C6H11BrO2

SMILES

CCCCC(Br)C(=O)O

Molecular Weight¹

195.05

CAS

616-05-7

Other Names

• «alpha»-Bromo-n-caproic acid
• «alpha»-Bromocaproic acid
• «alpha»-Bromohexanoic acid
• 2-Bromocaproic acid
• 2-Bromohexanoic acid

• 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

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Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[160.06; 349.26]	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			8.54300e+00
Coefficient B			6.68720e-01
Coefficient C			-4.49800e-04
Coefficient D			1.21800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.06	J/mol×K	273.00	Calculated Property
Cp,gas	194.22	J/mol×K	353.78	Calculated Property
Cp,gas	224.19	J/mol×K	434.56	Calculated Property
Cp,gas	250.37	J/mol×K	515.33	Calculated Property
Cp,gas	273.14	J/mol×K	596.11	Calculated Property
Cp,gas	292.88	J/mol×K	676.89	Calculated Property
Cp,gas	309.97	J/mol×K	757.67	Calculated Property
Cp,gas	324.81	J/mol×K	838.44	Calculated Property
Cp,gas	337.78	J/mol×K	919.22	Calculated Property
Cp,gas	349.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019269; 0.0003503]	Pa×s	[362.78; 529.17]	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			-1.16737e+01
Coefficient B			1.96694e+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.			362.78
Temperature range, max.			529.17
η	0.0019269	Pa×s	362.78	Calculated Property
η	0.0014814	Pa×s	381.27	Calculated Property
η	0.0011670	Pa×s	399.75	Calculated Property
η	0.0009389	Pa×s	418.24	Calculated Property
η	0.0007694	Pa×s	436.73	Calculated Property
η	0.0006408	Pa×s	455.22	Calculated Property
η	0.0005413	Pa×s	473.70	Calculated Property
η	0.0004632	Pa×s	492.19	Calculated Property
η	0.0004008	Pa×s	510.68	Calculated Property
η	0.0003503	Pa×s	529.17	Calculated Property

Similar Compounds

Find more compounds similar to Hexanoic acid, 2-bromo-.

Sources

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

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