Chemical Properties of Benzene, 1,2,3,5-tetrafluoro- (CAS 2367-82-0)

InChI

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

InChI Key

UHHYOKRQTQBKSB-UHFFFAOYSA-N

Formula

C6H2F4

SMILES

Fc1cc(F)c(F)c(F)c1

Molecular Weight¹

150.07

CAS

2367-82-0

Other Names

• 1,2,3,5-Tetrafluorobenzene
• 1,2,4,6-TETRAFLUOROBENZENE
• 1,3,4,5-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_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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3460		KDB
PAff	747.30	kJ/mol	NIST
BasG	719.60	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°	[35.40; 36.00]	kJ/mol
ΔvapH°	36.00	kJ/mol	NIST
ΔvapH°	35.40	kJ/mol	NIST
IE	[9.53; 9.56]	eV
IE	9.55 ± 0.01	eV	NIST
IE	9.53 ± 0.00	eV	NIST
IE	9.55	eV	NIST
IE	9.56	eV	NIST
log10WS	-2.31		Aq. Sol...
logPoct/wat	2.243		Crippen Calculated Property
McVol	78.720	ml/mol	McGowan Calculated Property
Pc	[3747.00; 3747.00]	kPa
Pc	3747.00	kPa	KDB
Pc	3747.00 ± 6.00	kPa	NIST
S°liquid	257.30	J/mol×K	NIST
Tboil	[356.20; 357.61]	K
Tboil	357.61	K	KDB
Tboil	356.20	K	NIST
Tc	[535.25; 535.25]	K
Tc	535.25	K	KDB
Tc	535.25 ± 0.20	K	NIST
Tfus	225.00	K	KDB
Ttriple	226.90 ± 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	190.30	J/mol×K	298.15	NIST
ΔfusH	[10.67; 10.67]	kJ/mol	[226.90; 226.90]
ΔfusH	10.67	kJ/mol	226.90	NIST
ΔfusH	10.67	kJ/mol	226.90	NIST
ΔvapH	[32.40; 36.00]	kJ/mol	[301.00; 400.50]
ΔvapH	36.00	kJ/mol	301.00	NIST
ΔvapH	36.00	kJ/mol	334.50	NIST
ΔvapH	32.40	kJ/mol	400.50	NIST
ρl	[1352.00; 1403.00]	kg/m3	[296.30; 325.90]
ρl	1403.00	kg/m3	296.30	Liquid-...
ρl	1352.00	kg/m3	325.90	Liquid-...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[263.09; 356.95]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.66435e+01
Coefficient B			-3.46280e+03
Coefficient C			-5.13750e+01
Temperature range, min.			263.09
Temperature range, max.			356.95
Pvap	1.33	kPa	263.09	Calculated Property
Pvap	2.87	kPa	273.52	Calculated Property
Pvap	5.78	kPa	283.95	Calculated Property
Pvap	10.95	kPa	294.38	Calculated Property
Pvap	19.68	kPa	304.81	Calculated Property
Pvap	33.78	kPa	315.23	Calculated Property
Pvap	55.63	kPa	325.66	Calculated Property
Pvap	88.34	kPa	336.09	Calculated Property
Pvap	135.77	kPa	346.52	Calculated Property
Pvap	202.63	kPa	356.95	Calculated Property
Pvap	[3.63; 3714.84]	kPa	[279.15; 535.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.97998e+01
Coefficient B			-6.81695e+03
Coefficient C			-9.70897e+00
Coefficient D			7.53476e-06
Temperature range, min.			279.15
Temperature range, max.			535.00
Pvap	3.63	kPa	279.15	Calculated Property
Pvap	15.32	kPa	307.58	Calculated Property
Pvap	48.61	kPa	336.01	Calculated Property
Pvap	124.96	kPa	364.43	Calculated Property
Pvap	274.38	kPa	392.86	Calculated Property
Pvap	534.58	kPa	421.29	Calculated Property
Pvap	950.43	kPa	449.72	Calculated Property
Pvap	1574.63	kPa	478.14	Calculated Property
Pvap	2470.18	kPa	506.57	Calculated Property
Pvap	3714.84	kPa	535.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2,3,5-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

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.