Chemical Properties of Ethyl 6-bromohexanoate (CAS 25542-62-5)

InChI

InChI=1S/C8H15BrO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7H2,1H3

InChI Key

DXBULVYHTICWKT-UHFFFAOYSA-N

Formula

C8H15BrO2

SMILES

CCOC(=O)CCCCCBr

Molecular Weight¹

223.11

CAS

25542-62-5

Other Names

• 6-Bromohexanoic acid, ethyl ester
• Ethyl «omega»-bromocaproate
• Hexanoic acid, 6-bromo-, ethyl ester

• 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	[205.52; 449.24]	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			2.92160e+01
Coefficient B			7.47220e-01
Coefficient C			-3.88200e-04
Coefficient D			6.10000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.52	J/mol×K	273.00	Calculated Property
Cp,gas	247.68	J/mol×K	353.78	Calculated Property
Cp,gas	285.62	J/mol×K	434.56	Calculated Property
Cp,gas	319.54	J/mol×K	515.33	Calculated Property
Cp,gas	349.62	J/mol×K	596.11	Calculated Property
Cp,gas	376.05	J/mol×K	676.89	Calculated Property
Cp,gas	399.04	J/mol×K	757.67	Calculated Property
Cp,gas	418.77	J/mol×K	838.44	Calculated Property
Cp,gas	435.44	J/mol×K	919.22	Calculated Property
Cp,gas	449.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023967; 0.0002936]	Pa×s	[306.15; 485.78]	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			-1.17113e+01
Coefficient B			1.73822e+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.			306.15
Temperature range, max.			485.78
η	0.0023967	Pa×s	306.15	Calculated Property
η	0.0016932	Pa×s	326.11	Calculated Property
η	0.0012451	Pa×s	346.07	Calculated Property
η	0.0009468	Pa×s	366.03	Calculated Property
η	0.0007406	Pa×s	385.99	Calculated Property
η	0.0005935	Pa×s	405.94	Calculated Property
η	0.0004856	Pa×s	425.90	Calculated Property
η	0.0004045	Pa×s	445.86	Calculated Property
η	0.0003423	Pa×s	465.82	Calculated Property
η	0.0002936	Pa×s	485.78	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 6-bromohexanoate.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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