Chemical Properties of Butanoic acid, 2-bromo-3-methyl-, ethyl ester

InChI

InChI=1S/C7H13BrO2/c1-4-10-7(9)6(8)5(2)3/h5-6H,4H2,1-3H3

InChI Key

WNFUWONOILPKNX-UHFFFAOYSA-N

Formula

C7H13BrO2

SMILES

CCOC(=O)C(Br)C(C)C

Molecular Weight¹

209.08

Other Names

• Ethyl «alpha»-bromoisovalerate
• Ethyl 2-bromo-3-methylbutyrate
• Ethyl 2-bromoisovalerate
• «alpha»-Bromoisovaleric acid ethyl ester
• Butyric acid, 2-bromo-3-methyl-, ethyl ester
• Ethyl 2-bromo-3-methylbutanoate

• 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_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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[183.67; 398.72]	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			2.67610e+01
Coefficient B			6.64060e-01
Coefficient C			-3.40200e-04
Coefficient D			4.81000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.67	J/mol×K	273.00	Calculated Property
Cp,gas	221.24	J/mol×K	353.78	Calculated Property
Cp,gas	255.04	J/mol×K	434.56	Calculated Property
Cp,gas	285.21	J/mol×K	515.33	Calculated Property
Cp,gas	311.91	J/mol×K	596.11	Calculated Property
Cp,gas	335.30	J/mol×K	676.89	Calculated Property
Cp,gas	355.52	J/mol×K	757.67	Calculated Property
Cp,gas	372.73	J/mol×K	838.44	Calculated Property
Cp,gas	387.08	J/mol×K	919.22	Calculated Property
Cp,gas	398.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0090675; 0.0002647]	Pa×s	[240.78; 476.58]	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			-1.18453e+01
Coefficient B			1.71970e+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.			240.78
Temperature range, max.			476.58
η	0.0090675	Pa×s	240.78	Calculated Property
η	0.0044987	Pa×s	266.98	Calculated Property
η	0.0025299	Pa×s	293.18	Calculated Property
η	0.0015636	Pa×s	319.38	Calculated Property
η	0.0010395	Pa×s	345.58	Calculated Property
η	0.0007320	Pa×s	371.78	Calculated Property
η	0.0005399	Pa×s	397.98	Calculated Property
η	0.0004134	Pa×s	424.18	Calculated Property
η	0.0003265	Pa×s	450.38	Calculated Property
η	0.0002647	Pa×s	476.58	Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 2-bromo-3-methyl-, ethyl ester.

Sources

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

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