Chemical Properties of Propanoic acid, 2-bromo-2-methyl-, ethyl ester (CAS 600-00-0)

InChI

InChI=1S/C6H11BrO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3

InChI Key

IOLQWGVDEFWYNP-UHFFFAOYSA-N

Formula

C6H11BrO2

SMILES

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

Molecular Weight¹

195.05

CAS

600-00-0

Other Names

• Ethyl «alpha»-bromoisobutyrate
• Ethyl 2-bromoisobutyrate
• Ethyl 2-bromo-2-methylpropionate
• «alpha»-Bromoisobutyric acid, ethyl ester
• Ethyl 2-bromo-2-methylpropanoate
• Propionic acid, 2-bromo-2-methyl-, ethyl ester
• 2-Bromo-2-methylpropanoic acid, ethyl ester
• Ethyl «alpha»-bromo-«alpha»-methylpropionate
• NSC 402034
• NSC 9465

• 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

Property	Value	Unit	Source
ω	0.4241		Relay (1.0) Calculated Property
ΔfG°	-293.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-462.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.54	kJ/mol	Joback Calculated Property
ΔvapH°	45.40	kJ/mol	NIST
IE	10.04	eV	Relay (1.0) Calculated Property
log10WS	-1.97		Relay (1.0) Calculated Property
logPoct/wat	1.723		Crippen Calculated Property
McVol	120.340	ml/mol	McGowan Calculated Property
Pc	3456.14	kPa	Joback Calculated Property
Tboil	[436.20; 451.00]	K
Tboil	436.20	K	NIST
Tboil	451.00 ± 1.00	K	NIST
Tc	627.30	K	Relay (1.0) Calculated Property
Tfus	234.72	K	Relay (1.0) Calculated Property
Vc	0.450	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[235.25; 292.63]	J/mol×K	[458.03; 661.84]
Cp,gas	235.25	J/mol×K	458.03	Joback Calculated Property
Cp,gas	246.40	J/mol×K	492.00	Joback Calculated Property
Cp,gas	256.88	J/mol×K	525.97	Joback Calculated Property
Cp,gas	266.72	J/mol×K	559.93	Joback Calculated Property
Cp,gas	275.94	J/mol×K	593.90	Joback Calculated Property
Cp,gas	284.57	J/mol×K	627.87	Joback Calculated Property
Cp,gas	292.63	J/mol×K	661.84	Joback Calculated Property
η	[0.0003119; 0.0058218]	Pa×s	[261.93; 458.03]
η	0.0058218	Pa×s	261.93	Joback Calculated Property
η	0.0027273	Pa×s	294.61	Joback Calculated Property
η	0.0014865	Pa×s	327.30	Joback Calculated Property
η	0.0009046	Pa×s	359.98	Joback Calculated Property
η	0.0005980	Pa×s	392.66	Joback Calculated Property
η	0.0004212	Pa×s	425.35	Joback Calculated Property
η	0.0003119	Pa×s	458.03	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

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

Sources

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

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