Chemical Properties of Propyl 3-bromopropanoate

InChI

InChI=1S/C6H11BrO2/c1-2-5-9-6(8)3-4-7/h2-5H2,1H3

InChI Key

DXFHVUUGWSXHQY-UHFFFAOYSA-N

Formula

C6H11BrO2

SMILES

CCCOC(=O)CCBr

Molecular Weight¹

195.05

Other Names

• Propanoic acid, 3-bromo, propyl 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).
• 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
ω	0.5721		Relay (1.0) Calculated Property
ΔfH°gas	-473.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.95	kJ/mol	Joback Calculated Property
ΔvapH°	54.06	kJ/mol	Relay (1.0) Calculated Property
IE	9.97	eV	Relay (1.0) Calculated Property
log10WS	-1.72		Relay (1.0) Calculated Property
logPoct/wat	1.725		Crippen Calculated Property
McVol	120.340	ml/mol	McGowan Calculated Property
Pc	3380.21	kPa	Joback Calculated Property
Inp	[1077.00; 1077.00]
Inp	1077.00		NIST
Inp	1077.00		NIST
I	[1556.00; 1556.00]
I	1556.00		NIST
I	1556.00		NIST
Tboil	468.68	K	Relay (1.0) Calculated Property
Tc	645.51	K	Relay (1.0) Calculated Property
Tfus	229.40	K	Relay (1.0) Calculated Property
Vc	0.442	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[232.26; 285.98]	J/mol×K	[461.26; 652.44]
Cp,gas	232.26	J/mol×K	461.26	Joback Calculated Property
Cp,gas	242.33	J/mol×K	493.12	Joback Calculated Property
Cp,gas	251.94	J/mol×K	524.99	Joback Calculated Property
Cp,gas	261.11	J/mol×K	556.85	Joback Calculated Property
Cp,gas	269.83	J/mol×K	588.71	Joback Calculated Property
Cp,gas	278.12	J/mol×K	620.57	Joback Calculated Property
Cp,gas	285.98	J/mol×K	652.44	Joback Calculated Property
η	[0.0003073; 0.0041890]	Pa×s	[259.51; 461.26]
η	0.0041890	Pa×s	259.51	Joback Calculated Property
η	0.0021114	Pa×s	293.13	Joback Calculated Property
η	0.0012254	Pa×s	326.76	Joback Calculated Property
η	0.0007872	Pa×s	360.38	Joback Calculated Property
η	0.0005454	Pa×s	394.01	Joback Calculated Property
η	0.0004003	Pa×s	427.63	Joback Calculated Property
η	0.0003073	Pa×s	461.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propyl 3-bromopropanoate.

Sources

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

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