Chemical Properties of Acetic acid, chloro-, ethyl ester (CAS 105-39-5)

InChI

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

InChI Key

VEUUMBGHMNQHGO-UHFFFAOYSA-N

Formula

C4H7ClO2

SMILES

CCOC(=O)CCl

Molecular Weight¹

122.55

CAS

105-39-5

Other Names

• 2-Chloroacetic acid ethyl ester
• Acetic acid, 2-chloro-, ethyl ester
• Chloroacetic acid ethyl ester
• Ethyl chloracetate
• Ethyl chloroacetate
• Ethyl chloroethanoate
• Ethyl ester of chloroacetic acid
• Ethyl monochloracetate
• Ethyl monochloroacetate
• Ethyl «alpha»-chloroacetate
• Ethyl «alpha»-chloroacetate
• Ethylester kyseliny chloroctove
• NSC 8833
• UN 1181
• chloroacetic acid, ethyl ester
• ethanoic acid, chloro-, ethyl ester

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• c_sound,fluid : Speed of sound in fluid (m/s).
• 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	0.3843		Relay (1.0) Calculated Property
ΔcH°liquid	-2052.00	kJ/mol	NIST
ΔfG°	-263.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-473.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.10	kJ/mol	Joback Calculated Property
ΔvapH°	[49.47; 49.50]	kJ/mol
ΔvapH°	49.48	kJ/mol	NIST
ΔvapH°	49.47 ± 0.08	kJ/mol	NIST
ΔvapH°	49.50 ± 0.10	kJ/mol	NIST
IE	10.32	eV	Relay (1.0) Calculated Property
log10WS	-0.91		Relay (1.0) 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	[774.00; 839.00]
Inp	791.00		NIST
Inp	776.00		NIST
Inp	774.00		NIST
Inp	802.00		NIST
Inp	832.00		NIST
Inp	806.40		NIST
Inp	839.00		NIST
Inp	810.00		NIST
Inp	810.00		NIST
Inp	791.00		NIST
Inp	806.40		NIST
Inp	839.00		NIST
I	[1292.00; 1380.00]
I	1302.00		NIST
I	1292.00		NIST
I	1337.00		NIST
I	1355.00		NIST
I	1336.00		NIST
I	1380.00		NIST
I	1302.00		NIST
I	1380.00		NIST
Tboil	414.73	K	Relay (1.0) Calculated Property
Tc	596.35	K	Relay (1.0) Calculated Property
Tfus	239.88	K	Relay (1.0) Calculated Property
Vc	0.318	m3/kmol	Relay (1.0) 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	[0.0008341; 0.0009692]	Pa×s	[303.15; 313.15]
η	0.0009692	Pa×s	303.15	Volumetric and Transport Properties of Binary Liquid Mixtures of Phenylacetonitrile with Aliphatic Esters at Temperatures of (303.15 to 313.15) K
η	0.0008979	Pa×s	308.15	Volumetric and Transport Properties of Binary Liquid Mixtures of Phenylacetonitrile with Aliphatic Esters at Temperatures of (303.15 to 313.15) K
η	0.0008341	Pa×s	313.15	Volumetric and Transport Properties of Binary Liquid Mixtures of Phenylacetonitrile with Aliphatic Esters at Temperatures of (303.15 to 313.15) K
ΔvapH	[40.43; 48.50]	kJ/mol	[346.00; 417.40]
ΔvapH	45.00	kJ/mol	346.00	NIST
ΔvapH	48.50	kJ/mol	358.00	NIST
ΔvapH	40.43	kJ/mol	417.40	NIST
n0	[1.41480; 1.42000]		[298.15; 308.15]
n0	1.42000		298.15	Density, Viscosity, Refractive Index, and Speed of Sound in the Binary Mixtures of Ethyl Chloroacetate + Cyclohexanone, + Chlorobenzene, + Bromobenzene, or + Benzyl Alcohol at (298.15, 303.15, and 308.15) K
n0	1.41730		303.15	Density, Viscosity, Refractive Index, and Speed of Sound in the Binary Mixtures of Ethyl Chloroacetate + Cyclohexanone, + Chlorobenzene, + Bromobenzene, or + Benzyl Alcohol at (298.15, 303.15, and 308.15) K
n0	1.41480		308.15	Density, Viscosity, Refractive Index, and Speed of Sound in the Binary Mixtures of Ethyl Chloroacetate + Cyclohexanone, + Chlorobenzene, + Bromobenzene, or + Benzyl Alcohol at (298.15, 303.15, and 308.15) K
ρl	[1118.74; 1144.11]	kg/m3	[298.15; 318.15]
ρl	1144.11	kg/m3	298.15	Excess molar volumes, viscosity deviations and excess thermal expansion coefficients for binary and ternary mixtures consist of diethylketone + 2-butanol + ethylchloroacetate at (298.15, 308.15 and 318.15) K
ρl	1131.46	kg/m3	308.15	Excess molar volumes, viscosity deviations and excess thermal expansion coefficients for binary and ternary mixtures consist of diethylketone + 2-butanol + ethylchloroacetate at (298.15, 308.15 and 318.15) K
ρl	1118.74	kg/m3	318.15	Excess molar volumes, viscosity deviations and excess thermal expansion coefficients for binary and ternary mixtures consist of diethylketone + 2-butanol + ethylchloroacetate at (298.15, 308.15 and 318.15) K
csound,fluid	[1177.00; 1229.00]	m/s	[303.15; 318.15]
csound,fluid	1229.00	m/s	303.15	Density and Speed of Sound of Binary Mixtures of N-Methylacetamide with Ethyl Acetate, Ethyl Chloroacetate, and Ethyl Cyanoacetate in the Temperature Interval (303.15 to 318.15) K
csound,fluid	1212.00	m/s	308.15	Density and Speed of Sound of Binary Mixtures of N-Methylacetamide with Ethyl Acetate, Ethyl Chloroacetate, and Ethyl Cyanoacetate in the Temperature Interval (303.15 to 318.15) K
csound,fluid	1198.00	m/s	313.15	Density and Speed of Sound of Binary Mixtures of N-Methylacetamide with Ethyl Acetate, Ethyl Chloroacetate, and Ethyl Cyanoacetate in the Temperature Interval (303.15 to 318.15) K
csound,fluid	1177.00	m/s	318.15	Density and Speed of Sound of Binary Mixtures of N-Methylacetamide with Ethyl Acetate, Ethyl Chloroacetate, and Ethyl Cyanoacetate in the Temperature Interval (303.15 to 318.15) K

Datasets

Viscosity, Pa*s

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Viscosity, Pa*s - Liquid
303.15	101.30	0.0013
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[309.14; 443.80]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.48407e+01
Coefficient B			-3.71707e+03
Coefficient C			-5.37270e+01
Temperature range, min.			309.14
Temperature range, max.			443.80
Pvap	1.33	kPa	309.14	Calculated Property
Pvap	2.98	kPa	324.10	Calculated Property
Pvap	6.13	kPa	339.06	Calculated Property
Pvap	11.74	kPa	354.03	Calculated Property
Pvap	21.12	kPa	368.99	Calculated Property
Pvap	36.03	kPa	383.95	Calculated Property
Pvap	58.69	kPa	398.91	Calculated Property
Pvap	91.81	kPa	413.88	Calculated Property
Pvap	138.57	kPa	428.84	Calculated Property
Pvap	202.65	kPa	443.80	Calculated Property

Similar Compounds

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

Mixtures

• Acetic acid, chloro-, ethyl ester + Carbon Tetrachloride
• Acetic acid, chloro-, ethyl ester + Trichloromethane
• Acetic acid, chloro-, ethyl ester + 3-Pentanone
• Acetic acid, chloro-, ethyl ester + Cyclohexanone
• Acetic acid, chloro-, ethyl ester + Benzene, chloro-
• Acetic acid, chloro-, ethyl ester + Benzene, bromo-
• Acetic acid, chloro-, ethyl ester + Benzyl alcohol
• Acetic acid, chloro-, ethyl ester + Acetamide, N-methyl-
• Acetic acid, chloro-, ethyl ester + Benzyl nitrile

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Speeds of sound, isentropic compressibilities, viscosities, and excess molar volumes of binary mixtures of alkanoates with tetra- and trichloromethanes at 303.15 K
• Excess molar volumes, viscosity deviations and excess thermal expansion coefficients for binary and ternary mixtures consist of diethylketone + 2-butanol + ethylchloroacetate at (298.15, 308.15 and 318.15) K
• Density, Viscosity, Refractive Index, and Speed of Sound in the Binary Mixtures of Ethyl Chloroacetate + Cyclohexanone, + Chlorobenzene, + Bromobenzene, or + Benzyl Alcohol at (298.15, 303.15, and 308.15) K
• Density and Speed of Sound of Binary Mixtures of N-Methylacetamide with Ethyl Acetate, Ethyl Chloroacetate, and Ethyl Cyanoacetate in the Temperature Interval (303.15 to 318.15) K
• Volumetric and Transport Properties of Binary Liquid Mixtures of Phenylacetonitrile with Aliphatic Esters at Temperatures of (303.15 to 313.15) K
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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