Chemical Properties of Propanoic acid, 2-bromo-, methyl ester

InChI

InChI=1S/C4H7BrO2/c1-3(5)4(6)7-2/h3H,1-2H3

InChI Key

ACEONLNNWKIPTM-UHFFFAOYSA-N

Formula

C4H7BrO2

SMILES

COC(=O)C(C)Br

Molecular Weight¹

167.00

Other Names

• Methyl «alpha»-bromopropionate
• Methyl dl-2-bromopropionate
• Methyl 2-bromopropanoate
• Methyl 2-bromopropionate
• Propionic acid, 2-bromo-, methyl ester
• 2-Bromopropanoic acid methyl ester
• 2-Bromopropionic acid methyl ester

• ω : Acentric Factor.
• 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).
• 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.
• 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	0.4075		Relay (1.0) Calculated Property
ΔfH°gas	-405.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.25	kJ/mol	Joback Calculated Property
ΔvapH°	47.62	kJ/mol	Relay (1.0) Calculated Property
IE	10.31	eV	Relay (1.0) Calculated Property
logPoct/wat	0.943		Crippen Calculated Property
McVol	92.160	ml/mol	McGowan Calculated Property
Pc	4328.25	kPa	Joback Calculated Property
Inp	[824.00; 838.00]
Inp	838.00		NIST
Inp	836.00		NIST
Inp	824.00		NIST
Inp	838.00		NIST
Tboil	415.70	K	Relay (1.0) Calculated Property
Tc	604.46	K	Relay (1.0) Calculated Property
Tfus	253.81	K	Relay (1.0) Calculated Property
Vc	0.337	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l 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	[157.03; 197.89]	J/mol×K	[415.06; 614.85]
Cp,gas	157.03	J/mol×K	415.06	Joback Calculated Property
Cp,gas	164.70	J/mol×K	448.36	Joback Calculated Property
Cp,gas	172.02	J/mol×K	481.66	Joback Calculated Property
Cp,gas	178.99	J/mol×K	514.96	Joback Calculated Property
Cp,gas	185.63	J/mol×K	548.26	Joback Calculated Property
Cp,gas	191.93	J/mol×K	581.56	Joback Calculated Property
Cp,gas	197.89	J/mol×K	614.85	Joback Calculated Property
η	[0.0003466; 0.0065092]	Pa×s	[221.97; 415.06]
η	0.0065092	Pa×s	221.97	Joback Calculated Property
η	0.0029298	Pa×s	254.15	Joback Calculated Property
η	0.0015779	Pa×s	286.33	Joback Calculated Property
η	0.0009630	Pa×s	318.51	Joback Calculated Property
η	0.0006435	Pa×s	350.70	Joback Calculated Property
η	0.0004601	Pa×s	382.88	Joback Calculated Property
η	0.0003466	Pa×s	415.06	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

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