Ethane, 1,1,2-trichloro-1,2,2-trifluoro- (CAS 76-13-1)

InChI

InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8

InChI Key

AJDIZQLSFPQPEY-UHFFFAOYSA-N

Formula

C2Cl3F3

SMILES

FC(F)(Cl)C(F)(Cl)Cl

Molecular Weight¹

187.38

CAS

76-13-1

Other Names

1,1,2-Trifluorotrichloroethane
1,1,2-trichloro-1,2,2-trifluoroethane
1,1,2-trichlorotrifluoroethane
1,1,2-trichlorotrifluoroethane (Freon 113)
1,1,2-trifluoro-1,2,2-trichloroethane
1,2,2-Trifluorotrichloroethane
1,2,2-trichlorotrifluoroethane
Arcton 63
Arklone
Arklone P
Asahifron 113
CFC-113
CFCl2CF2Cl
Daiflon S 3
Delifrene LS
Distillex DS5
F 113
FC 113
FC 133
Fluorocarbon 113
Forane 113
Freon 113
Freon 113 TR-T
Freon F113
Freon R 113
Freon TF
Freon TF (113)
Frigen 113
Frigen 113 TR
Frigen 113 TR-T
Frigen 113A
Genesolv D
Genetron 113
Halocarbon 113
Halon 113
Isceon 113
Kaiser chemicals 11
Khladon 113
LEDON 113
R 113
R 113(Halocarbon)
R-113
REFRIGERANT-113
Refrigerant 113
Refrigerant R 113
Trichloro 1,2,2-trifluoroethane

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).
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_subH : Enthalpy of sublimation 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).
P_c : Critical Pressure (kPa).
P_vap : Vapor pressure (kPa).
ρ_c : Critical 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).
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).
Z_c : Critical Compressibility.
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
ω	0.2410		Relay (1.0) Calculated Property
Δ_cH°_liquid	-641.60 ± 1.90	kJ/mol	NIST
Δ_fG°	-648.58	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-726.80 ± 4.30	kJ/mol	NIST
Δ_fH°_liquid	-755.00 ± 4.30	kJ/mol	NIST
Δ_fusH°	7.94	kJ/mol	Joback Calculated Property
Δ_vapH°	[28.20; 28.70]	kJ/mol
Δ_vapH°	28.61	kJ/mol	NIST
Δ_vapH°	28.20 ± 0.40	kJ/mol	NIST
Δ_vapH°	28.40 ± 0.10	kJ/mol	NIST
Δ_vapH°	28.20 ± 0.40	kJ/mol	NIST
Δ_vapH°	28.70	kJ/mol	NIST
IE	[11.99; 12.05]	eV
IE	11.99 ± 0.02	eV	NIST
IE	12.05	eV	NIST
log₁₀WS	[-3.04; -3.04]
log₁₀WS	-3.04		Aq. Solubility Prediction
log₁₀WS	-3.04		Estimated Solubility
logP_oct/wat	2.919		Crippen Calculated Property
McVol	81.070	ml/mol	McGowan Calculated Property
P_c	[3379.00; 3420.00]	kPa
P_c	3420.00	kPa	KDB
P_c	3379.00 ± 5.00	kPa	NIST
P_c	3410.82 ± 6.89	kPa	NIST
P_c	3412.89	kPa	NIST
ρ_c	[569.62; 575.24]	kg/m³
ρ_c	569.62 ± 5.70	kg/m³	NIST
ρ_c	569.92 ± 9.61	kg/m³	NIST
ρ_c	575.24 ± 1.87	kg/m³	NIST
I_np	[522.00; 555.00]
I_np	528.00		NIST
I_np	540.00		NIST
I_np	524.00		NIST
I_np	532.00		NIST
I_np	526.00		NIST
I_np	522.00		NIST
I_np	522.00		NIST
I_np	527.00		NIST
I_np	Outlier 555.00		NIST
I_np	530.00		NIST
I_np	530.00		NIST
I_np	528.00		NIST
I	[660.00; 660.00]
I	660.00		NIST
I	660.00		NIST
S°_liquid	289.50	J/mol×K	NIST
T_boil	[320.42; 321.00]	K
T_boil	320.80	K	KDB
T_boil	321.00	K	NIST
T_boil	320.42 ± 0.10	K	NIST
T_boil	320.90	K	NIST
T_boil	320.70	K	NIST
T_boil	320.70	K	NIST
T_c	[487.20; 487.50]	K
T_c	487.30	K	KDB
T_c	487.25 ± 0.30	K	NIST
T_c	487.50 ± 0.48	K	NIST
T_c	487.20	K	NIST
T_c	487.48 ± 0.55	K	NIST
T_c	487.26	K	NIST
T_c	487.25 ± 0.50	K	NIST
T_fus	[238.00; 238.15]	K
T_fus	238.00	K	KDB
T_fus	238.15	K	NIST
T_triple	[236.55; 237.93]	K
T_triple	236.55 ± 0.10	K	NIST
T_triple	237.93 ± 0.02	K	NIST
T_triple	236.92 ± 0.02	K	NIST
T_triple	236.92 ± 0.02	K	NIST
V_c	0.325	m³/kmol	KDB
Z_c	0.2743320		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[126.81; 153.48]	J/mol×K	[348.80; 533.87]

C_p,gas	126.81	J/mol×K	348.80	Joback Calculated Property
C_p,gas	132.62	J/mol×K	379.64	Joback Calculated Property
C_p,gas	137.83	J/mol×K	410.49	Joback Calculated Property
C_p,gas	142.49	J/mol×K	441.33	Joback Calculated Property
C_p,gas	146.63	J/mol×K	472.18	Joback Calculated Property
C_p,gas	150.28	J/mol×K	503.02	Joback Calculated Property
C_p,gas	153.48	J/mol×K	533.87	Joback Calculated Property
C_p,liquid	[161.40; 262.00]	J/mol×K	[240.00; 460.00]

C_p,liquid	161.40	J/mol×K	240.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	163.00	J/mol×K	250.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	164.70	J/mol×K	260.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	166.70	J/mol×K	270.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	167.30	J/mol×K	273.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	168.70	J/mol×K	280.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	170.90	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	172.80	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	172.90	J/mol×K	298.15	NIST
C_p,liquid	172.80	J/mol×K	298.15	NIST
C_p,liquid	179.80	J/mol×K	298.15	NIST
C_p,liquid	177.00	J/mol×K	298.20	NIST
C_p,liquid	177.00	J/mol×K	298.20	NIST
C_p,liquid	173.20	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	172.50	J/mol×K	303.15	NIST
C_p,liquid	175.50	J/mol×K	310.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	177.90	J/mol×K	320.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	180.20	J/mol×K	330.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	183.00	J/mol×K	340.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	185.00	J/mol×K	350.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	188.00	J/mol×K	360.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	191.00	J/mol×K	370.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	194.00	J/mol×K	380.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	199.00	J/mol×K	390.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	204.00	J/mol×K	400.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	210.00	J/mol×K	410.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	218.00	J/mol×K	420.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	226.00	J/mol×K	430.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	237.00	J/mol×K	440.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	248.00	J/mol×K	450.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	262.00	J/mol×K	460.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Δ_fusH	[0.83; 2.47]	kJ/mol	[82.50; 273.93]
Δ_fusH	0.83	kJ/mol	82.50	NIST
Δ_fusH	2.47	kJ/mol	236.90	NIST
Δ_fusH	2.47	kJ/mol	236.90	NIST
Δ_fusH	2.33	kJ/mol	273.93	NIST
Δ_subH	32.90	kJ/mol	219.00	NIST
Δ_vapH	[26.60; 30.90]	kJ/mol	[295.50; 416.50]

Δ_vapH	28.20	kJ/mol	295.50	NIST
Δ_vapH	28.30	kJ/mol	296.00	NIST
Δ_vapH	30.90	kJ/mol	301.00	NIST
Δ_vapH	30.80	kJ/mol	302.00	NIST
Δ_vapH	28.80	kJ/mol	307.00	NIST
Δ_vapH	27.50 ± 0.10	kJ/mol	313.00	NIST
Δ_vapH	27.04	kJ/mol	320.70	NIST
Δ_vapH	26.60 ± 0.10	kJ/mol	328.00	NIST
Δ_vapH	26.90	kJ/mol	416.50	NIST
Δ_fusS	[8.49; 10.42]	J/mol×K	[82.50; 273.93]
Δ_fusS	10.08	J/mol×K	82.50	NIST
Δ_fusS	10.42	J/mol×K	236.90	NIST
Δ_fusS	8.49	J/mol×K	273.93	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 3358.42]	kPa	[232.76; 487.21]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40069e+01
Coefficient B			-2.62436e+03
Coefficient C			-4.14730e+01
Temperature range, min.			232.76
Temperature range, max.			487.21

P_vap	1.33	kPa	232.76	Calculated Property
P_vap	7.80	kPa	261.03	Calculated Property
P_vap	30.50	kPa	289.30	Calculated Property
P_vap	90.19	kPa	317.58	Calculated Property
P_vap	218.07	kPa	345.85	Calculated Property
P_vap	453.78	kPa	374.12	Calculated Property
P_vap	841.86	kPa	402.39	Calculated Property
P_vap	1427.71	kPa	430.67	Calculated Property
P_vap	2254.06	kPa	458.94	Calculated Property
P_vap	3358.42	kPa	487.21	Calculated Property
P_vap	[1.95; 3548.42]	kPa	[238.15; 487.25]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + Cln(T) + DT^2
Coefficient A			1.11463e+02
Coefficient B			-7.08030e+03
Coefficient C			-1.49859e+01
Coefficient D			1.67919e-05
Temperature range, min.			238.15
Temperature range, max.			487.25

P_vap	1.95	kPa	238.15	Calculated Property
P_vap	10.49	kPa	265.83	Calculated Property
P_vap	38.02	kPa	293.51	Calculated Property
P_vap	104.82	kPa	321.18	Calculated Property
P_vap	238.37	kPa	348.86	Calculated Property
P_vap	472.79	kPa	376.54	Calculated Property
P_vap	850.73	kPa	404.22	Calculated Property
P_vap	1428.93	kPa	431.89	Calculated Property
P_vap	2288.07	kPa	459.57	Calculated Property
P_vap	3548.42	kPa	487.25	Calculated Property

Similar Compounds

Ethane, 1,1,2,2-tetrachloro-1,2-difluoro-.

Ethane, 1,2-dichloro-1,1,2,2-tetrafluoro-.

Ethane, 1,1,1,2-tetrachloro-2,2-difluoro-.

Ethane, 1,1-dichloro-1,2,2,2-tetrafluoro-.

Propane, 1,2,2-trichloro-1,1,3,3,3-pentafluoro-.

Propane, 1,2,2,3-tetrachloro-1,1,3,3-tetrafluoro-.

Find more compounds similar to Ethane, 1,1,2-trichloro-1,2,2-trifluoro-.

Mixtures

Ethane, 1,1,2-trichloro-1,2,2-trifluoro- + Water

Sources

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Chemical Properties of Ethane, 1,1,2-trichloro-1,2,2-trifluoro- (CAS 76-13-1)