Chemical Properties of Bromoacetic acid, isopropyl ester

InChI

InChI=1S/C5H9BrO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3

InChI Key

JCWLEWKPXYZHGQ-UHFFFAOYSA-N

Formula

C5H9BrO2

SMILES

CC(C)OC(=O)CBr

Molecular Weight¹

181.03

Other Names

• BrCH2C(O)OCH(CH3)2
• Acetic acid, bromo-, 1-methylethyl ester
• Bromoacetic acid, isopropyl ester
• Acetic acid, 2-bromo-, 1-methylethyl ester
• Isopropyl «alpha»-bromoacetate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-471.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.84	kJ/mol	Joback Calculated Property
ΔvapH°	46.97	kJ/mol	Relay (1.0) Calculated Property
IE	10.10	eV	Relay (1.0) Calculated Property
log10WS	-1.50		Relay (1.0) Calculated Property
logPoct/wat	1.333		Crippen Calculated Property
McVol	106.250	ml/mol	McGowan Calculated Property
Pc	3829.28	kPa	Joback Calculated Property
Inp	[906.00; 949.00]
Inp	949.00		NIST
Inp	916.20		NIST
Inp	906.00		NIST
Inp	949.00		NIST
Inp	906.00		NIST
I	[1365.00; 1365.00]
I	1365.00		NIST
I	1365.00		NIST
Tboil	418.69	K	Relay (1.0) Calculated Property
Tc	617.99	K	Relay (1.0) Calculated Property
Tfus	253.47	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[193.59; 242.01]	J/mol×K	[437.94; 635.68]
Cp,gas	193.59	J/mol×K	437.94	Joback Calculated Property
Cp,gas	202.69	J/mol×K	470.90	Joback Calculated Property
Cp,gas	211.37	J/mol×K	503.85	Joback Calculated Property
Cp,gas	219.64	J/mol×K	536.81	Joback Calculated Property
Cp,gas	227.50	J/mol×K	569.77	Joback Calculated Property
Cp,gas	234.95	J/mol×K	602.73	Joback Calculated Property
Cp,gas	242.01	J/mol×K	635.68	Joback Calculated Property
η	[0.0003201; 0.0063850]	Pa×s	[233.24; 437.94]
η	0.0063850	Pa×s	233.24	Joback Calculated Property
η	0.0028202	Pa×s	267.36	Joback Calculated Property
η	0.0014987	Pa×s	301.47	Joback Calculated Property
η	0.0009057	Pa×s	335.59	Joback Calculated Property
η	0.0006007	Pa×s	369.71	Joback Calculated Property
η	0.0004270	Pa×s	403.82	Joback Calculated Property
η	0.0003201	Pa×s	437.94	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Bromoacetic acid, isopropyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.