Chemical Properties of Benzene, 1,2,4,5-tetrafluoro- (CAS 327-54-8)

InChI

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

InChI Key

SDXUIOOHCIQXRP-UHFFFAOYSA-N

Formula

C6H2F4

SMILES

Fc1cc(F)c(F)cc1F

Molecular Weight¹

150.07

CAS

327-54-8

Other Names

• 1,2,4,5-Tetrafluorobenzene
• 2,3,5,6-Tetrafluorobenzene

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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_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_l : Liquid Density (kg/m³).
• I_np : Non-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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3550		KDB
PAff	746.50	kJ/mol	NIST
BasG	718.80	kJ/mol	NIST
ΔcH°liquid	-2679.00 ± 1.70	kJ/mol	NIST
ΔfG°	-696.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-646.80 ± 3.40	kJ/mol	NIST
ΔfH°liquid	-683.80 ± 3.20	kJ/mol	NIST
ΔfusH°	16.49	kJ/mol	Joback Calculated Property
ΔvapH°	[37.11; 37.20]	kJ/mol
ΔvapH°	37.20	kJ/mol	NIST
ΔvapH°	37.11	kJ/mol	NIST
IE	[9.20; 9.39]	eV
IE	9.33 ± 0.07	eV	NIST
IE	9.20	eV	NIST
IE	9.35 ± 0.00	eV	NIST
IE	9.39	eV	NIST
IE	9.36	eV	NIST
log10WS	-2.38		Aq. Sol...
logPoct/wat	2.243		Crippen Calculated Property
McVol	78.720	ml/mol	McGowan Calculated Property
Pc	[3801.00; 3801.00]	kPa
Pc	3801.00	kPa	KDB
Pc	3801.00 ± 6.00	kPa	NIST
Inp	604.00		NIST
S°liquid	250.40	J/mol×K	NIST
Tboil	[362.70; 363.41]	K
Tboil	363.41	K	KDB
Tboil	363.00	K	NIST
Tboil	362.70	K	NIST
Tc	[543.35; 543.35]	K
Tc	543.35	K	KDB
Tc	543.35 ± 0.20	K	NIST
Tfus	[277.40; 277.60]	K
Tfus	277.60	K	KDB
Tfus	277.40	K	Aq. Sol...
Ttriple	277.03 ± 0.02	K	NIST
Vc	0.336	m3/kmol	Joback Calculated Property

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	192.20	J/mol×K	298.15	NIST
ΔfusH	[15.05; 15.05]	kJ/mol	[277.00; 277.03]
ΔfusH	15.05	kJ/mol	277.00	NIST
ΔfusH	15.05	kJ/mol	277.00	NIST
ΔfusH	15.05	kJ/mol	277.03	NIST
ΔvapH	[32.60; 36.80]	kJ/mol	[341.50; 515.50]
ΔvapH	36.80	kJ/mol	341.50	NIST
ΔvapH	33.10	kJ/mol	439.00	NIST
ΔvapH	32.60	kJ/mol	515.50	NIST
ρl	[1370.00; 1421.00]	kg/m3	[296.70; 327.40]
ρl	1421.00	kg/m3	296.70	Liquid-...
ρl	1370.00	kg/m3	327.40	Liquid-...
ΔfusS	54.33	J/mol×K	277.03	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[279.22; 351.91]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.16950e+01
Coefficient B			-5.07479e+03
Coefficient C			-4.21610e+01
Temperature range, min.			279.22
Temperature range, max.			351.91
Pvap	1.33	kPa	279.22	Calculated Property
Pvap	2.70	kPa	287.30	Calculated Property
Pvap	5.22	kPa	295.37	Calculated Property
Pvap	9.71	kPa	303.45	Calculated Property
Pvap	17.38	kPa	311.53	Calculated Property
Pvap	30.07	kPa	319.60	Calculated Property
Pvap	50.45	kPa	327.68	Calculated Property
Pvap	82.27	kPa	335.76	Calculated Property
Pvap	130.68	kPa	343.83	Calculated Property
Pvap	202.64	kPa	351.91	Calculated Property
Pvap	[5.84; 3768.43]	kPa	[293.15; 543.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.90733e+01
Coefficient B			-7.34595e+03
Coefficient C			-1.10868e+01
Coefficient D			8.49380e-06
Temperature range, min.			293.15
Temperature range, max.			543.00
Pvap	5.84	kPa	293.15	Calculated Property
Pvap	21.61	kPa	320.91	Calculated Property
Pvap	62.42	kPa	348.67	Calculated Property
Pvap	149.80	kPa	376.43	Calculated Property
Pvap	312.57	kPa	404.19	Calculated Property
Pvap	586.14	kPa	431.96	Calculated Property
Pvap	1012.52	kPa	459.72	Calculated Property
Pvap	1641.67	kPa	487.48	Calculated Property
Pvap	2534.60	kPa	515.24	Calculated Property
Pvap	3768.43	kPa	543.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2,4,5-tetrafluoro-.

Sources

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

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