Chemical Properties of Acetic acid, bromo-, ethyl ester (CAS 105-36-2)

InChI

InChI=1S/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3

InChI Key

PQJJJMRNHATNKG-UHFFFAOYSA-N

Formula

C4H7BrO2

SMILES

CCOC(=O)CBr

Molecular Weight¹

167.00

CAS

105-36-2

Other Names

• Antol
• Bromoacetic acid ethyl ester
• Ethoxycarbonylmethyl bromide
• Ethyl «alpha»-bromoacetate
• Ethyl bromacetate
• Ethyl bromoacetate
• Ethyl monobromoacetate
• UN 1603
• Acetic acid, 2-bromo-, ethyl ester
• Ethyl 2-bromoacetate
• NSC 8832

• 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_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	0.4700		Relay (1.0) Calculated Property
ΔfG°	-313.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-423.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.77	kJ/mol	Joback Calculated Property
ΔvapH°	47.31	kJ/mol	Relay (1.0) Calculated Property
IE	10.11	eV	Relay (1.0) Calculated Property
log10WS	-1.08		Relay (1.0) Calculated Property
logPoct/wat	0.944		Crippen Calculated Property
McVol	92.160	ml/mol	McGowan Calculated Property
Pc	4283.05	kPa	Joback Calculated Property
Inp	[873.40; 880.00]
Inp	880.00		NIST
Inp	873.40		NIST
Inp	880.00		NIST
Tboil	[430.00; 432.20]	K
Tboil	432.20	K	NIST
Tboil	430.00	K	NIST
Tboil	432.00 ± 0.60	K	NIST
Tboil	431.40 ± 1.00	K	NIST
Tc	624.63	K	Relay (1.0) Calculated Property
Tfus	242.42	K	Relay (1.0) Calculated Property
Vc	0.341	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[156.94; 196.52]	J/mol×K	[415.50; 610.58]
Cp,gas	156.94	J/mol×K	415.50	Joback Calculated Property
Cp,gas	164.33	J/mol×K	448.01	Joback Calculated Property
Cp,gas	171.41	J/mol×K	480.53	Joback Calculated Property
Cp,gas	178.16	J/mol×K	513.04	Joback Calculated Property
Cp,gas	184.59	J/mol×K	545.56	Joback Calculated Property
Cp,gas	190.71	J/mol×K	578.07	Joback Calculated Property
Cp,gas	196.52	J/mol×K	610.58	Joback Calculated Property
η	[0.0003605; 0.0042569]	Pa×s	[236.97; 415.50]
η	0.0042569	Pa×s	236.97	Joback Calculated Property
η	0.0022425	Pa×s	266.73	Joback Calculated Property
η	0.0013435	Pa×s	296.48	Joback Calculated Property
η	0.0008837	Pa×s	326.24	Joback Calculated Property
η	0.0006235	Pa×s	355.99	Joback Calculated Property
η	0.0004642	Pa×s	385.75	Joback Calculated Property
η	0.0003605	Pa×s	415.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, bromo-, ethyl ester.

Sources

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

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