Chemical Properties of Benzene, 1,2,3,4-tetrafluoro- (CAS 551-62-2)

InChI

InChI=1S/C6H2F4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H

InChI Key

SOZFIIXUNAKEJP-UHFFFAOYSA-N

Formula

C6H2F4

SMILES

Fc1ccc(F)c(F)c1F

Molecular Weight¹

150.07

CAS

551-62-2

Other Names

• 1,2,3,4-Tetrafluorobenzene
• 2,3,4,5-Tetrafluorobenzene

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (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_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).
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• 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.

Physical Properties

Property	Value	Unit	Source
ω	0.3440		KDB
PAff	700.40	kJ/mol	NIST
BasG	672.70	kJ/mol	NIST
ΔfG°	-696.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-749.49	kJ/mol	Joback Calculated Property
ΔfusH°	16.49	kJ/mol	Joback Calculated Property
ΔvapH°	37.50	kJ/mol	NIST
IE	[9.53; 9.61]	eV
IE	9.57 ± 0.03	eV	NIST
IE	9.60	eV	NIST
IE	9.53 ± 0.00	eV	NIST
IE	9.61	eV	NIST
IE	9.56	eV	NIST
log10WS	-2.80		Crippen Calculated Property
logPoct/wat	2.243		Crippen Calculated Property
McVol	78.720	ml/mol	McGowan Calculated Property
Pc	[3791.00; 3791.00]	kPa
Pc	3791.00	kPa	KDB
Pc	3791.00 ± 4.00	kPa	NIST
ρc	479.64 ± 0.47	kg/m3	NIST
S°liquid	256.10	J/mol×K	NIST
Tboil	[366.70; 368.20]	K
Tboil	367.51	K	KDB
Tboil	368.20	K	NIST
Tboil	368.00	K	NIST
Tboil	366.70	K	NIST
Tc	[550.83; 550.83]	K
Tc	550.83	K	KDB
Tc	550.83 ± 0.20	K	NIST
Tc	550.83 ± 0.05	K	NIST
Tfus	223.72	K	Joback Calculated Property
Ttriple	[231.25; 233.26]	K
Ttriple	231.25 ± 0.02	K	NIST
Ttriple	233.26 ± 0.02	K	NIST
Vc	0.313	m3/kmol	KDB
Zc	0.2590860		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[141.11; 176.14]	J/mol×K	[375.38; 548.84]
Cp,gas	141.11	J/mol×K	375.38	Joback Calculated Property
Cp,gas	147.59	J/mol×K	404.29	Joback Calculated Property
Cp,gas	153.81	J/mol×K	433.20	Joback Calculated Property
Cp,gas	159.77	J/mol×K	462.11	Joback Calculated Property
Cp,gas	165.47	J/mol×K	491.02	Joback Calculated Property
Cp,gas	170.93	J/mol×K	519.93	Joback Calculated Property
Cp,gas	176.14	J/mol×K	548.84	Joback Calculated Property
Cp,liquid	189.90	J/mol×K	298.15	NIST
ΔfusH	[10.93; 10.93]	kJ/mol	[233.30; 233.30]
ΔfusH	10.93	kJ/mol	233.30	NIST
ΔfusH	10.93	kJ/mol	233.30	NIST
ΔvapH	[36.80; 37.00]	kJ/mol	[301.00; 346.00]
ΔvapH	37.00	kJ/mol	301.00	NIST
ΔvapH	36.80	kJ/mol	346.00	NIST
ρl	[1360.00; 1408.00]	kg/m3	[296.40; 327.40]
ρl	1408.00	kg/m3	296.40	Liquid-...
ρl	1360.00	kg/m3	327.40	Liquid-...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[270.64; 354.68]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.80331e+01
Coefficient B			-3.77649e+03
Coefficient C			-5.78220e+01
Temperature range, min.			270.64
Temperature range, max.			354.68
Pvap	1.33	kPa	270.64	Calculated Property
Pvap	2.81	kPa	279.98	Calculated Property
Pvap	5.58	kPa	289.32	Calculated Property
Pvap	10.51	kPa	298.65	Calculated Property
Pvap	18.87	kPa	307.99	Calculated Property
Pvap	32.48	kPa	317.33	Calculated Property
Pvap	53.84	kPa	326.67	Calculated Property
Pvap	86.27	kPa	336.00	Calculated Property
Pvap	134.08	kPa	345.34	Calculated Property
Pvap	202.67	kPa	354.68	Calculated Property
Pvap	[2.35; 3520.69]	kPa	[279.15; 546.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.10221e+01
Coefficient B			-6.63473e+03
Coefficient C			-8.31885e+00
Coefficient D			5.79106e-06
Temperature range, min.			279.15
Temperature range, max.			546.00
Pvap	2.35	kPa	279.15	Calculated Property
Pvap	11.02	kPa	308.80	Calculated Property
Pvap	37.71	kPa	338.45	Calculated Property
Pvap	102.70	kPa	368.10	Calculated Property
Pvap	235.67	kPa	397.75	Calculated Property
Pvap	474.94	kPa	427.40	Calculated Property
Pvap	866.22	kPa	457.05	Calculated Property
Pvap	1462.13	kPa	486.70	Calculated Property
Pvap	2323.22	kPa	516.35	Calculated Property
Pvap	3520.69	kPa	546.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2,3,4-tetrafluoro-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Liquid-Liquid Equilibria in Binary Mixtures Containing Fluorinated Benzenes and Ionic Liquid 1-Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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