Chemical Properties of Hexanoic acid, 6-bromo- (CAS 4224-70-8)

InChI

InChI=1S/C6H11BrO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)

InChI Key

NVRVNSHHLPQGCU-UHFFFAOYSA-N

Formula

C6H11BrO2

SMILES

O=C(O)CCCCCBr

Molecular Weight¹

195.05

CAS

4224-70-8

Other Names

• 6-Bromohexanoic acid
• 6-Bromocaproic acid
• 6-Bromo-n-caproic 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	[160.37; 348.72]	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			1.02250e+01
Coefficient B			6.62800e-01
Coefficient C			-4.46600e-04
Coefficient D			1.22300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.37	J/mol×K	273.00	Calculated Property
Cp,gas	194.23	J/mol×K	353.78	Calculated Property
Cp,gas	223.95	J/mol×K	434.56	Calculated Property
Cp,gas	249.92	J/mol×K	515.33	Calculated Property
Cp,gas	272.54	J/mol×K	596.11	Calculated Property
Cp,gas	292.17	J/mol×K	676.89	Calculated Property
Cp,gas	309.23	J/mol×K	757.67	Calculated Property
Cp,gas	324.08	J/mol×K	838.44	Calculated Property
Cp,gas	337.11	J/mol×K	919.22	Calculated Property
Cp,gas	348.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016072; 0.0003801]	Pa×s	[377.78; 526.42]	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			-1.15397e+01
Coefficient B			1.92912e+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.			377.78
Temperature range, max.			526.42
η	0.0016072	Pa×s	377.78	Calculated Property
η	0.0012977	Pa×s	394.30	Calculated Property
η	0.0010660	Pa×s	410.81	Calculated Property
η	0.0008891	Pa×s	427.33	Calculated Property
η	0.0007516	Pa×s	443.84	Calculated Property
η	0.0006431	Pa×s	460.36	Calculated Property
η	0.0005562	Pa×s	476.87	Calculated Property
η	0.0004858	Pa×s	493.39	Calculated Property
η	0.0004280	Pa×s	509.90	Calculated Property
η	0.0003801	Pa×s	526.42	Calculated Property

Similar Compounds

Find more compounds similar to Hexanoic acid, 6-bromo-.

Sources

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

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