Chemical Properties of Ethanol, 2-chloro-, acetate (CAS 542-58-5)

InChI

InChI=1S/C4H7ClO2/c1-4(6)7-3-2-5/h2-3H2,1H3

InChI Key

VIRWKAJWTKAIMA-UHFFFAOYSA-N

Formula

C4H7ClO2

SMILES

CC(=O)OCCCl

Molecular Weight¹

122.55

CAS

542-58-5

Other Names

• «beta»-Chloroethyl acetate
• 1-Acetoxy-2-chloroethane
• 2-Acetoxy-1-chloroethane
• 2-Acetoxyethyl chloride
• 2-Chloroethyl acetate
• CH3C(O)OCH2CH2Cl
• Acetic acid «beta»-chloroethyl ester
• 2-Chloroethyl ethanoate
• Acetoxyethyl chloride
• 2-Chlorethylacetat
• 2-Chloroethanol acetate
• 2-Chloroethyl ester of acetic acid
• Ethanol, 2-chloro-, 1-acetate
• NSC 77374
• Acetic acid, 2-chloroethyl ester
• Chloroethyl acetate

• 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).
• 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
ΔfG°	-263.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-386.43	kJ/mol	Joback Calculated Property
ΔfusH°	13.10	kJ/mol	Joback Calculated Property
ΔvapH°	41.50 ± 0.20	kJ/mol	NIST
log10WS	-0.51		Crippen Calculated Property
logPoct/wat	0.788		Crippen Calculated Property
McVol	86.900	ml/mol	McGowan Calculated Property
Pc	3940.66	kPa	Joback Calculated Property
Inp	[796.00; 846.00]
Inp	796.00		NIST
Inp	801.00		NIST
Inp	796.00		NIST
Inp	817.00		NIST
Inp	801.00		NIST
Inp	816.00		NIST
Inp	828.00		NIST
Inp	846.00		NIST
Inp	825.00		NIST
Inp	832.00		NIST
Inp	828.00		NIST
Inp	837.40		NIST
Inp	837.40		NIST
Inp	796.00		NIST
Inp	816.00		NIST
I	[1297.00; 1365.00]
I	1297.00		NIST
I	1299.00		NIST
I	1354.00		NIST
I	1315.00		NIST
I	1319.00		NIST
I	1313.00		NIST
I	Outlier 1365.00		NIST
I	1331.00		NIST
I	1341.00		NIST
I	1318.00		NIST
I	1318.00		NIST
I	1318.00		NIST
I	1297.00		NIST
I	1313.00		NIST
I	1341.00		NIST
Tboil	[418.00; 418.20]	K
Tboil	418.20	K	NIST
Tboil	418.00	K	NIST
Tc	592.13	K	Joback Calculated Property
Tfus	236.92	K	Joback Calculated Property
Vc	0.333	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[151.10; 188.84]	J/mol×K	[404.64; 592.13]
Cp,gas	151.10	J/mol×K	404.64	Joback Calculated Property
Cp,gas	157.93	J/mol×K	435.89	Joback Calculated Property
Cp,gas	164.55	J/mol×K	467.14	Joback Calculated Property
Cp,gas	170.96	J/mol×K	498.39	Joback Calculated Property
Cp,gas	177.14	J/mol×K	529.63	Joback Calculated Property
Cp,gas	183.10	J/mol×K	560.88	Joback Calculated Property
Cp,gas	188.84	J/mol×K	592.13	Joback Calculated Property
η	[0.0003259; 0.0027868]	Pa×s	[236.92; 404.64]
η	0.0027868	Pa×s	236.92	Joback Calculated Property
η	0.0016136	Pa×s	264.87	Joback Calculated Property
η	0.0010371	Pa×s	292.83	Joback Calculated Property
η	0.0007199	Pa×s	320.78	Joback Calculated Property
η	0.0005298	Pa×s	348.73	Joback Calculated Property
η	0.0004081	Pa×s	376.69	Joback Calculated Property
η	0.0003259	Pa×s	404.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethanol, 2-chloro-, acetate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.