Chemical Properties of Propanoic acid, 2,3-dibromo-, ethyl ester (CAS 3674-13-3)

InChI

InChI=1S/C5H8Br2O2/c1-2-9-5(8)4(7)3-6/h4H,2-3H2,1H3

InChI Key

OENICUBCLXKLJQ-UHFFFAOYSA-N

Formula

C5H8Br2O2

SMILES

CCOC(=O)C(Br)CBr

Molecular Weight¹

259.92

CAS

3674-13-3

Other Names

• Ethyl 2,3-dibromopropionate
• Ethyl «alpha»,«beta»-dibromopropionate
• Propionic acid, 2,3-dibromo-, ethyl ester

• 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).
• 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	0.5438		Relay (1.0) Calculated Property
ΔfG°	-292.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-433.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.12	kJ/mol	Joback Calculated Property
ΔvapH°	61.54	kJ/mol	Relay (1.0) Calculated Property
IE	10.29	eV	Relay (1.0) Calculated Property
log10WS	-1.96		Relay (1.0) Calculated Property
logPoct/wat	1.708		Crippen Calculated Property
McVol	123.750	ml/mol	McGowan Calculated Property
Pc	4178.49	kPa	Joback Calculated Property
Inp	[1140.00; 1140.00]
Inp	1140.00		NIST
Inp	1140.00		NIST
Tboil	477.63	K	Relay (1.0) Calculated Property
Tc	684.69	K	Relay (1.0) Calculated Property
Tfus	300.75	K	Relay (1.0) Calculated Property
Vc	0.432	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[225.10; 269.43]	J/mol×K	[504.10; 718.56]
Cp,gas	225.10	J/mol×K	504.10	Joback Calculated Property
Cp,gas	233.74	J/mol×K	539.84	Joback Calculated Property
Cp,gas	241.86	J/mol×K	575.59	Joback Calculated Property
Cp,gas	249.47	J/mol×K	611.33	Joback Calculated Property
Cp,gas	256.59	J/mol×K	647.07	Joback Calculated Property
Cp,gas	263.24	J/mol×K	682.81	Joback Calculated Property
Cp,gas	269.43	J/mol×K	718.56	Joback Calculated Property
η	[0.0003079; 0.0039069]	Pa×s	[293.04; 504.10]
η	0.0039069	Pa×s	293.04	Joback Calculated Property
η	0.0020388	Pa×s	328.22	Joback Calculated Property
η	0.0012067	Pa×s	363.39	Joback Calculated Property
η	0.0007834	Pa×s	398.57	Joback Calculated Property
η	0.0005456	Pa×s	433.75	Joback Calculated Property
η	0.0004011	Pa×s	468.92	Joback Calculated Property
η	0.0003079	Pa×s	504.10	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Propanoic acid, 2,3-dibromo-, ethyl ester.

Sources

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

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