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

• 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.
• 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	0.4061		Relay (1.0) Calculated Property
ΔfG°	-339.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-474.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.68	kJ/mol	Joback Calculated Property
ΔvapH°	41.50 ± 0.20	kJ/mol	NIST
IE	10.36	eV	Relay (1.0) Calculated Property
log10WS	-0.80		Relay (1.0) Calculated Property
logPoct/wat	0.788		Crippen Calculated Property
McVol	86.900	ml/mol	McGowan Calculated Property
Pc	3745.38	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	602.78	K	Relay (1.0) Calculated Property
Tfus	212.77	K	Relay (1.0) Calculated Property
Vc	0.318	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[120.08; 242.07]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.75520e+01
Coefficient B			3.35820e-01
Coefficient C			-1.19600e-04
Coefficient D			-1.17000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	120.08	J/mol×K	273.00	Calculated Property
Cp,gas	140.87	J/mol×K	353.78	Calculated Property
Cp,gas	159.94	J/mol×K	434.56	Calculated Property
Cp,gas	177.25	J/mol×K	515.33	Calculated Property
Cp,gas	192.76	J/mol×K	596.11	Calculated Property
Cp,gas	206.44	J/mol×K	676.89	Calculated Property
Cp,gas	218.25	J/mol×K	757.67	Calculated Property
Cp,gas	228.14	J/mol×K	838.44	Calculated Property
Cp,gas	236.10	J/mol×K	919.22	Calculated Property
Cp,gas	242.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0051770; 0.0002850]	Pa×s	[207.09; 399.07]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.12905e+01
Coefficient B			1.24812e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			207.09
Temperature range, max.			399.07
η	0.0051770	Pa×s	207.09	Calculated Property
η	0.0029488	Pa×s	228.42	Calculated Property
η	0.0018491	Pa×s	249.75	Calculated Property
η	0.0012479	Pa×s	271.08	Calculated Property
η	0.0008919	Pa×s	292.42	Calculated Property
η	0.0006672	Pa×s	313.75	Calculated Property
η	0.0005180	Pa×s	335.08	Calculated Property
η	0.0004145	Pa×s	356.41	Calculated Property
η	0.0003401	Pa×s	377.74	Calculated Property
η	0.0002850	Pa×s	399.07	Calculated Property

Similar Compounds

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

Sources

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

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