Chemical Properties of Bromoacetic acid, 3-methylbutyl ester (CAS 83004-92-6)

InChI

InChI=1S/C7H13BrO2/c1-6(2)3-4-10-7(9)5-8/h6H,3-5H2,1-2H3

InChI Key

QHIYUCHMHDAPAT-UHFFFAOYSA-N

Formula

C7H13BrO2

SMILES

CC(C)CCOC(=O)CBr

Molecular Weight¹

209.08

CAS

83004-92-6

Other Names

• Acetic acid, bromo, 3-methylbutyl ester
• Isopentyl bromoacetate

• 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).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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

Property	Value	Unit	Source
ΔfG°	-213.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-411.56	kJ/mol	Joback Calculated Property
ΔfusH°	18.43	kJ/mol	Joback Calculated Property
ΔvapH°	46.38	kJ/mol	Joback Calculated Property
log10WS	-1.81		Crippen Calculated Property
logPoct/wat	1.971		Crippen Calculated Property
McVol	134.430	ml/mol	McGowan Calculated Property
Pc	3202.78	kPa	Joback Calculated Property
Inp	[1125.00; 1127.90]
Inp	1127.90		NIST
Inp	1125.00		NIST
Inp	1125.00		NIST
Inp	1127.90		NIST
I	[1595.00; 1595.00]
I	1595.00		NIST
I	1595.00		NIST
Tboil	501.57	K	Joback Calculated Property
Tc	697.81	K	Joback Calculated Property
Tfus	285.61	K	Joback Calculated Property
Vc	0.507	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[277.07; 336.97]	J/mol×K	[501.57; 697.81]
Cp,gas	277.07	J/mol×K	501.57	Joback Calculated Property
Cp,gas	288.28	J/mol×K	534.28	Joback Calculated Property
Cp,gas	298.99	J/mol×K	566.98	Joback Calculated Property
Cp,gas	309.20	J/mol×K	599.69	Joback Calculated Property
Cp,gas	318.93	J/mol×K	632.40	Joback Calculated Property
Cp,gas	328.18	J/mol×K	665.11	Joback Calculated Property
Cp,gas	336.97	J/mol×K	697.81	Joback Calculated Property
η	[0.0002828; 0.0034561]	Pa×s	[285.61; 501.57]
η	0.0034561	Pa×s	285.61	Joback Calculated Property
η	0.0018031	Pa×s	321.60	Joback Calculated Property
η	0.0010723	Pa×s	357.60	Joback Calculated Property
η	0.0007013	Pa×s	393.59	Joback Calculated Property
η	0.0004925	Pa×s	429.58	Joback Calculated Property
η	0.0003653	Pa×s	465.58	Joback Calculated Property
η	0.0002828	Pa×s	501.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bromoacetic acid, 3-methylbutyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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