Chemical Properties of Ethane, 1,1,1-trichloro- (CAS 71-55-6)

InChI

InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3

InChI Key

UOCLXMDMGBRAIB-UHFFFAOYSA-N

Formula

C2H3Cl3

SMILES

CC(Cl)(Cl)Cl

Molecular Weight¹

133.40

CAS

71-55-6

Other Names

• 1,1,1-TCE
• 1,1,1-Trichloraethan
• 1,1,1-Trichlorethane
• 1,1,1-Trichloroethane
• 1,1,1-Tricloroetano
• ALPHA-TRICHLOROETHANE
• Aerothene TT
• CF 2
• CH3CCl3
• Chloroetene
• Chloroethene
• Chloroethene NU
• Chloroform, methyl-
• Chlorotene
• Chlorothane NU
• Chlorothene
• Chlorothene NU
• Chlorothene SM
• Chlorothene VG
• Chlorten
• Cleanite
• Distillex DS1
• Ethana
• Ethana NU
• F 140a
• Freon 140a
• Genklene LB
• HCC 140a
• ICI-CF 2
• Inhibisol
• METHYLCHLOROFORM
• Methyltrichloromethane
• NCI-C04626
• R-140a
• REFRIGERANT-140A
• Rcra waste number U226
• Solvent 111
• Solvethane
• Tafclean
• Three One A
• Three One S
• Tri-ethane
• Trichloro-1,1,1-ethane
• Trichloroethane
• Trichloromethylmethane
• UN 2831
• «alpha»-T
• «alpha»-Trichloroethane
• «alpha»-T
• «alpha»-Trichloroethane

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• 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_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• NFPA Safety : NFPA Safety Rating.
• 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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• c_sound,fluid : Speed of sound in fluid (m/s).
• Δ_vapS : Entropy of vaporization at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2170		KDB
ΔcH°liquid	[-1112.10; -1108.00]	kJ/mol
ΔcH°liquid	-1108.00 ± 0.79	kJ/mol	NIST
ΔcH°liquid	-1112.10 ± 1.30	kJ/mol	NIST
μ	1.70	debye	KDB
ΔfG°	-66.99	kJ/mol	Joback Calculated Property
ΔfH°gas	[-145.00; -142.30]	kJ/mol
ΔfH°gas	-145.00 ± 2.00	kJ/mol	NIST
ΔfH°gas	-144.40 ± 1.60	kJ/mol	NIST
ΔfH°gas	-142.30 ± 1.40	kJ/mol	NIST
ΔfH°liquid	[-178.60; -174.00]	kJ/mol
ΔfH°liquid	-177.00 ± 2.00	kJ/mol	NIST
ΔfH°liquid	-174.00	kJ/mol	NIST
ΔfH°liquid	-178.60 ± 0.84	kJ/mol	NIST
ΔfH°liquid	-174.80 ± 1.40	kJ/mol	NIST
ΔfusH°	6.11	kJ/mol	Joback Calculated Property
ΔvapH°	[32.47; 32.62]	kJ/mol
ΔvapH°	32.62	kJ/mol	NIST
ΔvapH°	32.59 ± 0.07	kJ/mol	NIST
ΔvapH°	32.50 ± 0.10	kJ/mol	NIST
ΔvapH°	32.47 ± 0.06	kJ/mol	NIST
ΔvapH°	32.50 ± 0.10	kJ/mol	NIST
ΔvapH°	32.47 ± 0.08	kJ/mol	NIST
IE	[11.00; 11.25]	eV
IE	11.00	eV	NIST
IE	11.25	eV	NIST
log10WS	[-2.04; -2.00]
log10WS	-2.04		Aq. Sol...
log10WS	-2.00		Estimat...
logPoct/wat	2.377		Crippen Calculated Property
McVol	75.760	ml/mol	McGowan Calculated Property
NFPA Fire	1		KDB
NFPA Health	2		KDB
NFPA Safety	2		KDB
Pc	4300.00	kPa	KDB
Inp	[621.00; 660.00]
Inp	637.00		NIST
Inp	639.00		NIST
Inp	637.00		NIST
Inp	646.00		NIST
Inp	651.00		NIST
Inp	640.00		NIST
Inp	650.00		NIST
Inp	621.00		NIST
Inp	637.00		NIST
Inp	642.40		NIST
Inp	623.50		NIST
Inp	645.10		NIST
Inp	628.00		NIST
Inp	645.00		NIST
Inp	Outlier 660.00		NIST
Inp	628.60		NIST
Inp	641.00		NIST
Inp	634.00		NIST
Inp	634.00		NIST
Inp	628.00		NIST
Inp	636.00		NIST
Inp	625.98		NIST
Inp	636.00		NIST
Inp	639.00		NIST
Inp	639.00		NIST
Inp	650.00		NIST
Inp	626.00		NIST
Inp	626.00		NIST
Inp	639.00		NIST
Inp	634.00		NIST
Inp	621.00		NIST
Inp	629.00		NIST
Inp	632.00		NIST
Inp	650.00		NIST
Inp	634.00		NIST
Inp	630.00		NIST
Inp	636.00		NIST
Inp	650.00		NIST
Inp	621.00		NIST
Inp	630.00		NIST
Inp	637.00		NIST
I	[885.00; 909.11]
I	898.00		NIST
I	898.00		NIST
I	904.35		NIST
I	909.11		NIST
I	897.56		NIST
I	891.00		NIST
I	885.00		NIST
I	908.00		NIST
I	900.00		NIST
I	900.00		NIST
I	886.00		NIST
I	898.00		NIST
I	891.00		NIST
S°liquid	[226.70; 227.48]	J/mol×K
S°liquid	226.70	J/mol×K	NIST
S°liquid	227.48	J/mol×K	NIST
Tboil	[347.00; 347.35]	K
Tboil	347.24	K	KDB
Tboil	347.00	K	Excess ...
Tboil	347.35	K	Excess ...
Tboil	347.35	K	Vapor-L...
Tboil	347.35	K	Isobari...
Tc	[545.00; 548.40]	K
Tc	545.00	K	KDB
Tc	548.40	K	NIST
Tfus	[231.90; 244.95]	K
Tfus	242.70	K	KDB
Tfus	242.01	K	Aq. Sol...
Tfus	240.90 ± 0.20	K	NIST
Tfus	Outlier 231.90 ± 1.20	K	NIST
Tfus	239.20 ± 1.00	K	NIST
Tfus	241.15 ± 1.00	K	NIST
Tfus	242.70 ± 0.02	K	NIST
Tfus	240.95 ± 0.20	K	NIST
Tfus	244.95 ± 0.40	K	NIST
Tfus	240.50 ± 0.30	K	NIST
Tfus	240.80 ± 0.50	K	NIST
Ttriple	[240.10; 243.13]	K
Ttriple	243.13	K	KDB
Ttriple	243.13 ± 0.02	K	NIST
Ttriple	240.10 ± 0.20	K	NIST
Ttriple	240.20 ± 0.20	K	NIST
Vc	0.283	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[100.77; 125.60]	J/mol×K	[354.22; 560.71]
Cp,gas	100.77	J/mol×K	354.22	Joback Calculated Property
Cp,gas	105.93	J/mol×K	388.64	Joback Calculated Property
Cp,gas	110.64	J/mol×K	423.05	Joback Calculated Property
Cp,gas	114.94	J/mol×K	457.47	Joback Calculated Property
Cp,gas	118.85	J/mol×K	491.88	Joback Calculated Property
Cp,gas	122.39	J/mol×K	526.30	Joback Calculated Property
Cp,gas	125.60	J/mol×K	560.71	Joback Calculated Property
Cp,liquid	[138.90; 144.40]	J/mol×K	[257.29; 299.59]
Cp,liquid	138.90	J/mol×K	257.29	NIST
Cp,liquid	144.40	J/mol×K	298.15	NIST
Cp,liquid	144.31	J/mol×K	299.59	NIST
Cp,solid	123.00	J/mol×K	225.00	NIST
η	[0.0004883; 0.0065153]	Pa×s	[204.48; 354.22]
η	0.0065153	Pa×s	204.48	Joback Calculated Property
η	0.0033450	Pa×s	229.44	Joback Calculated Property
η	0.0019574	Pa×s	254.39	Joback Calculated Property
η	0.0012605	Pa×s	279.35	Joback Calculated Property
η	0.0008725	Pa×s	304.31	Joback Calculated Property
η	0.0006385	Pa×s	329.26	Joback Calculated Property
η	0.0004883	Pa×s	354.22	Joback Calculated Property
ΔfusH	[0.21; 7.49]	kJ/mol	[205.00; 243.10]
ΔfusH	0.21	kJ/mol	205.00	NIST
ΔfusH	7.45	kJ/mol	223.60	NIST
ΔfusH	7.47	kJ/mol	224.20	NIST
ΔfusH	7.49	kJ/mol	224.80	NIST
ΔfusH	1.88	kJ/mol	240.10	NIST
ΔfusH	1.88	kJ/mol	240.10	NIST
ΔfusH	1.88	kJ/mol	240.20	NIST
ΔfusH	2.35	kJ/mol	243.10	NIST
ΔvapH	[29.40; 37.60]	kJ/mol	[247.00; 512.00]
ΔvapH	37.60	kJ/mol	247.00	NIST
ΔvapH	33.40	kJ/mol	279.00	NIST
ΔvapH	33.40 ± 0.10	kJ/mol	284.00	NIST
ΔvapH	33.31	kJ/mol	286.53	NIST
ΔvapH	32.30	kJ/mol	333.50	NIST
ΔvapH	32.40	kJ/mol	344.00	NIST
ΔvapH	29.86	kJ/mol	347.20	NIST
ΔvapH	30.50	kJ/mol	378.50	NIST
ΔvapH	29.40	kJ/mol	443.00	NIST
ΔvapH	29.50	kJ/mol	512.00	NIST
Pvap	[16.64; 37.61]	kPa	[298.15; 318.15]
Pvap	16.64	kPa	298.15	(Vapour...
Pvap	25.85	kPa	308.15	(Vapour...
Pvap	37.61	kPa	318.15	(Vapour...
n0	[1.43540; 1.43790]		[293.15; 298.15]
n0	1.43790		293.15	Bubble ...
n0	1.43540		298.15	Isother...
n0	1.43590		298.15	Bubble ...
n0	1.43600		298.15	Bubble ...
n0	1.43590		298.15	Bubble-...
ρl	[1294.47; 1346.17]	kg/m3	[288.15; 318.15]
ρl	1346.17	kg/m3	288.15	Densiti...
ρl	1344.95	kg/m3	288.15	Densiti...
ρl	1339.00	kg/m3	298.00	KDB
ρl	1331.30	kg/m3	298.15	Volumet...
ρl	1328.24	kg/m3	298.15	Volumet...
ρl	1329.49	kg/m3	298.15	Densiti...
ρl	1328.27	kg/m3	298.15	Densiti...
ρl	1311.45	kg/m3	308.15	Densiti...
ρl	1311.45	kg/m3	308.15	Volumet...
ρl	1312.65	kg/m3	308.15	Densiti...
ρl	1294.47	kg/m3	318.15	Densiti...
ρl	1294.47	kg/m3	318.15	Volumet...
ρl	1295.66	kg/m3	318.15	Densiti...
ΔfusS	[1.02; 33.31]	J/mol×K	[205.00; 243.10]
ΔfusS	1.02	J/mol×K	205.00	NIST
ΔfusS	33.31	J/mol×K	223.60	NIST
ΔfusS	33.30	J/mol×K	224.20	NIST
ΔfusS	33.30	J/mol×K	224.80	NIST
ΔfusS	7.84	J/mol×K	240.10	NIST
ΔfusS	7.80	J/mol×K	240.20	NIST
ΔfusS	9.67	J/mol×K	243.10	NIST
csound,fluid	[894.71; 962.94]	m/s	[298.15; 318.15]
csound,fluid	962.94	m/s	298.15	Speeds ...
csound,fluid	928.68	m/s	308.15	Speeds ...
csound,fluid	894.71	m/s	318.15	Speeds ...
ΔvapS	116.26	J/mol×K	286.53	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.71; 4303.56]	kPa	[243.10; 545.00]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41227e+01
Coefficient B			-2.88621e+03
Coefficient C			-4.35260e+01
Temperature range, min.			243.10
Temperature range, max.			545.00
Pvap	0.71	kPa	243.10	Calculated Property
Pvap	5.71	kPa	276.64	Calculated Property
Pvap	27.09	kPa	310.19	Calculated Property
Pvap	90.79	kPa	343.73	Calculated Property
Pvap	238.62	kPa	377.28	Calculated Property
Pvap	525.66	kPa	410.82	Calculated Property
Pvap	1014.61	kPa	444.37	Calculated Property
Pvap	1769.21	kPa	477.91	Calculated Property
Pvap	2848.66	kPa	511.46	Calculated Property
Pvap	4303.56	kPa	545.00	Calculated Property
Pvap	[0.72; 4295.56]	kPa	[242.75; 545.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.02341e+01
Coefficient B			-6.44789e+03
Coefficient C			-9.92362e+00
Coefficient D			8.37906e-06
Temperature range, min.			242.75
Temperature range, max.			545.00
Pvap	0.72	kPa	242.75	Calculated Property
Pvap	5.77	kPa	276.33	Calculated Property
Pvap	27.35	kPa	309.92	Calculated Property
Pvap	90.54	kPa	343.50	Calculated Property
Pvap	233.85	kPa	377.08	Calculated Property
Pvap	506.76	kPa	410.67	Calculated Property
Pvap	968.24	kPa	444.25	Calculated Property
Pvap	1688.95	kPa	477.83	Calculated Property
Pvap	2758.14	kPa	511.42	Calculated Property
Pvap	4295.56	kPa	545.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethane, 1,1,1-trichloro-.

Mixtures

• Ethane, 1,1,1-trichloro- + Methane, nitro-
• Ethane, 1,1,1-trichloro- + Ethane, 1,2-dibromo-
• Ethane, 1,1,1-trichloro- + Cyclopentanone
• Ethane, 1,1,1-trichloro- + Ethylbenzene
• Ethane, 1,1,1-trichloro- + Cyclohexanone
• 2-Butanone + Ethane, 1,1,1-trichloro-
• Ethane, 1,1,1-trichloro- + Dimethyl Sulfoxide
• Ethane, 1,1,1-trichloro- + 2-Pyrrolidinone, 1-methyl-
• Ethane, 1,1,1-trichloro- + Cyclohexane
• Ethane, 1,1,1-trichloro- + Heptane
• Benzene, nitro- + Ethane, 1,1,1-trichloro-
• Ethane, 1,1,1-trichloro- + Benzene, chloro-
• Ethane, 1,1,1-trichloro- + Tetrahydrofuran
• Ethane, 1,1,1-trichloro- + 2-Methyl-1-butanol
• Ethane, 1,1,1-trichloro- + Water

Sources

• KDB Pure (Korean Thermophysical Properties Databank)
• KDB Vapor Pressure Data
• Crippen Method
• Speeds of sound, isentropic compressibilities and refractive indices for some binary mixtures of nitromethane with chloroalkane at temperatures from 298.15 to 318.15 K. Comparison with theories
• Excess volumes and speeds of sound of mixtures of 1,2-dibromoethane with chlorinated ethanes and ethenes at 303.15 K
• Isothermal (vapour + liquid) equilibria in the binary mixtures (1,2-dichloroethane and 1,1,1-trichloroethane with cyclopentanone) within the temperature range (298.15 to 313.15) K
• Bubble points of the binary mixtures formed by ethylbenzene with some chloroaliphatics and substituted benzenes at p = 94.7 kPa
• (Vapour + liquid) equilibria and excess Gibbs free energies of (cyclohexanone + 1- chlorobutane and + 1,1,1-trichloroethane) binary mixtures at temperatures from (298.15 to 318.15) K
• Volumetric and optical properties for some (2-butanone + chloroalkane) binary mixtures at T = 298.15 K
• Excess molar enthalpies of dimethylsulfoxide with chloroethanes and chloroethenes at 298.15K
• Vapor-Liquid Equilibria and Excess Molar Enthalpies for N-Methyl-2-pyrrolidone with Chloroethanes and Chloroethenes
• Bubble Temperature Measurements on Binary Mixtures Formed by Cyclohexane at 94.7 kPa
• Bubble Temperature Measurements on the Binary Mixtures of n-Heptane or Nitrobenzene or Chlorobenzene with Some Chloroethanes and Chloroethylenes at (94.6 to 95.8) kPa
• Bubble-Temperature Measurements on Some Binary Mixtures Formed by Tetrahydrofuran or Amyl Alcohol with Hydrocarbons, Chlorohydrocarbons, or Butanols at (94.6 or 95.8) kPa
• Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
• Volumetric Study for the Binary Nitromethane with Chloroalkane Mixtures at Temperatures in the Range (298.15 to 318.15) K
• Isobaric Vapor Liquid Equilibrium for Dimethylsulfoxide with Chloroethanes and Chloroethenes
• Densities and Excess Molar Volumes of the Binary Mixtures of Cyclohexanone with Chloroalkanes at Temperatures between (288.15 and 318.15) K
• Densities and Excess Molar Volumes of the Binary Mixtures of Cyclopentanone with Chloroalkanes at T = (288.15, 298.15, 308.15, and 318.15) K
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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