Chemical Properties of Pentanoic acid, 5-bromo- (CAS 2067-33-6)

InChI

InChI=1S/C5H9BrO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)

InChI Key

WNXNUPJZWYOKMW-UHFFFAOYSA-N

Formula

C5H9BrO2

SMILES

O=C(O)CCCCBr

Molecular Weight¹

181.03

CAS

2067-33-6

Other Names

• 5-Bromovaleric acid
• 5-Bromopentanoic acid
• 2-Bromovaleric acid
• 5-Bromo-n-valeric acid
• «delta»-Bromovaleric acid
• Valeric acid, 5-bromo-

• 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_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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Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[139.16; 297.13]	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			1.11340e+01
Coefficient B			5.67800e-01
Coefficient C			-3.92200e-04
Coefficient D			1.10400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	139.16	J/mol×K	273.00	Calculated Property
Cp,gas	167.81	J/mol×K	353.78	Calculated Property
Cp,gas	192.87	J/mol×K	434.56	Calculated Property
Cp,gas	214.69	J/mol×K	515.33	Calculated Property
Cp,gas	233.62	J/mol×K	596.11	Calculated Property
Cp,gas	250.01	J/mol×K	676.89	Calculated Property
Cp,gas	264.21	J/mol×K	757.67	Calculated Property
Cp,gas	276.56	J/mol×K	838.44	Calculated Property
Cp,gas	287.42	J/mol×K	919.22	Calculated Property
Cp,gas	297.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016471; 0.0003955]	Pa×s	[366.51; 512.57]	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			-1.14153e+01
Coefficient B			1.83496e+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.			366.51
Temperature range, max.			512.57
η	0.0016471	Pa×s	366.51	Calculated Property
η	0.0013320	Pa×s	382.74	Calculated Property
η	0.0010960	Pa×s	398.97	Calculated Property
η	0.0009157	Pa×s	415.20	Calculated Property
η	0.0007754	Pa×s	431.42	Calculated Property
η	0.0006646	Pa×s	447.65	Calculated Property
η	0.0005758	Pa×s	463.88	Calculated Property
η	0.0005038	Pa×s	480.11	Calculated Property
η	0.0004446	Pa×s	496.34	Calculated Property
η	0.0003955	Pa×s	512.57	Calculated Property

Similar Compounds

Find more compounds similar to Pentanoic acid, 5-bromo-.

Sources

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

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