Chemical Properties of Ethane, 1-bromo-2-chloro-1,1,2-trifluoro- (CAS 354-06-3)

InChI

InChI=1S/C2HBrClF3/c3-2(6,7)1(4)5/h1H

InChI Key

KFTODZKBBUMDQB-UHFFFAOYSA-N

Formula

C2HBrClF3

SMILES

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

Molecular Weight¹

197.38

CAS

354-06-3

Other Names

• 1,1,2-Trifluoro-1-bromo-2-chloroethane
• 1-bromo-2-chloro-1,1,2-trifluoroethane

• 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_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).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• Δ_fusS : Entropy of fusion 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-806.30 ± 5.20	kJ/mol	NIST
ΔfH°gas	-654.70 ± 5.60	kJ/mol	NIST
ΔfH°liquid	-675.30 ± 6.40	kJ/mol	NIST
ΔfusH°	8.72	kJ/mol	Joback Calculated Property
ΔvapH°	[30.00; 30.50]	kJ/mol
ΔvapH°	30.12	kJ/mol	NIST
ΔvapH°	30.00 ± 0.10	kJ/mol	NIST
ΔvapH°	30.50	kJ/mol	NIST
IE	11.46	eV	Relay (1.0) Calculated Property
log10WS	-2.26		Relay (1.0) Calculated Property
logPoct/wat	2.509		Crippen Calculated Property
McVol	74.090	ml/mol	McGowan Calculated Property
Pc	4528.58	kPa	Joback Calculated Property
Tboil	[325.50; 325.60]	K
Tboil	325.50 ± 2.50	K	NIST
Tboil	325.60	K	NIST
Tc	499.80	K	NIST
Tfus	146.20 ± 0.20	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[112.10; 137.51]	J/mol×K	[342.89; 523.53]
Cp,gas	112.10	J/mol×K	342.89	Joback Calculated Property
Cp,gas	117.35	J/mol×K	373.00	Joback Calculated Property
Cp,gas	122.16	J/mol×K	403.10	Joback Calculated Property
Cp,gas	126.55	J/mol×K	433.21	Joback Calculated Property
Cp,gas	130.56	J/mol×K	463.31	Joback Calculated Property
Cp,gas	134.21	J/mol×K	493.42	Joback Calculated Property
Cp,gas	137.51	J/mol×K	523.53	Joback Calculated Property
Cp,liquid	[159.20; 163.70]	J/mol×K	[290.00; 320.00]
Cp,liquid	159.20	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
Cp,liquid	160.40	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
Cp,liquid	160.30	J/mol×K	298.15	NIST
Cp,liquid	160.70	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
Cp,liquid	162.20	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
Cp,liquid	163.70	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
ΔfusH	[4.38; 4.38]	kJ/mol	[146.20; 146.20]
ΔfusH	4.38	kJ/mol	146.20	NIST
ΔfusH	4.38	kJ/mol	146.20	NIST
ΔfusH	4.38	kJ/mol	146.20	NIST
ΔvapH	[27.20; 29.00]	kJ/mol	[313.00; 343.00]
ΔvapH	29.00 ± 0.10	kJ/mol	313.00	NIST
ΔvapH	28.31	kJ/mol	325.60	NIST
ΔvapH	28.10 ± 0.10	kJ/mol	328.00	NIST
ΔvapH	27.20 ± 0.10	kJ/mol	343.00	NIST
ΔfusS	29.90	J/mol×K	146.20	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[238.63; 348.16]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.34672e+01
Coefficient B			-2.34327e+03
Coefficient C			-6.08390e+01
Temperature range, min.			238.63
Temperature range, max.			348.16
Pvap	1.33	kPa	238.63	Calculated Property
Pvap	3.10	kPa	250.80	Calculated Property
Pvap	6.52	kPa	262.97	Calculated Property
Pvap	12.59	kPa	275.14	Calculated Property
Pvap	22.65	kPa	287.31	Calculated Property
Pvap	38.40	kPa	299.48	Calculated Property
Pvap	61.83	kPa	311.65	Calculated Property
Pvap	95.27	kPa	323.82	Calculated Property
Pvap	141.30	kPa	335.99	Calculated Property
Pvap	202.67	kPa	348.16	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.