Chemical Properties of Benzene, chloropentafluoro- (CAS 344-07-0)

InChI

InChI=1S/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9

InChI Key

KGCDGLXSBHJAHZ-UHFFFAOYSA-N

Formula

C6ClF5

SMILES

Fc1c(F)c(F)c(Cl)c(F)c1F

Molecular Weight¹

202.51

CAS

344-07-0

Other Names

• Chloropentafluorobenzene
• Chloroperfluorobenzene
• Pentafluorochlorobenzene
• Pentafluorophenyl chloride

• 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).
• EA : Electron affinity (eV).
• 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).
• 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.
• 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_boilr : Boiling point at reduced pressure (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	0.4000		KDB
ΔcH°liquid	-2428.70 ± 2.00	kJ/mol	NIST
EA	[0.75; 0.82]	eV
EA	0.75 ± 0.08	eV	NIST
EA	0.82 ± 0.11	eV	NIST
ΔfG°	-922.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-809.60 ± 2.00	kJ/mol	NIST
ΔfH°liquid	-850.40 ± 2.20	kJ/mol	NIST
ΔfusH°	22.99	kJ/mol	Joback Calculated Property
ΔvapH°	[40.80; 41.30]	kJ/mol
ΔvapH°	41.10	kJ/mol	NIST
ΔvapH°	41.30	kJ/mol	NIST
ΔvapH°	40.80 ± 0.40	kJ/mol	NIST
IE	[9.50; 10.40]	eV
IE	9.72 ± 0.14	eV	NIST
IE	9.72 ± 0.02	eV	NIST
IE	10.40 ± 0.10	eV	NIST
IE	9.50	eV	NIST
IE	9.94	eV	NIST
logPoct/wat	3.035		Crippen Calculated Property
McVol	92.730	ml/mol	McGowan Calculated Property
Pc	[3190.00; 3238.00]	kPa
Pc	3238.00	kPa	KDB
Pc	3190.00	kPa	NIST
ρc	538.88 ± 0.53	kg/m3	NIST
Inp	748.00		NIST
S°liquid	[300.70; 303.59]	J/mol×K
S°liquid	303.59	J/mol×K	NIST
S°liquid	300.70	J/mol×K	NIST
Tboil	[390.00; 391.20]	K
Tboil	391.11	K	KDB
Tboil	390.00	K	NIST
Tboil	391.20	K	NIST
Tc	[569.90; 571.00]	K
Tc	570.81	K	KDB
Tc	571.00	K	NIST
Tc	569.90	K	NIST
Tc	570.81 ± 0.05	K	NIST
Tfus	261.46	K	Relay (1.0) Calculated Property
Ttriple	[257.29; 257.49]	K
Ttriple	257.29 ± 0.02	K	NIST
Ttriple	257.49 ± 0.02	K	NIST
Ttriple	257.29 ± 0.02	K	NIST
Ttriple	257.49 ± 0.02	K	NIST
Vc	0.376	m3/kmol	KDB
Zc	0.2565290		KDB

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[213.80; 242.00]	J/mol×K	[260.00; 390.00]
Cp,liquid	213.80	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
Cp,liquid	215.80	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
Cp,liquid	216.40	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
Cp,liquid	217.70	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
Cp,liquid	219.80	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	223.17	J/mol×K	298.15	NIST
Cp,liquid	221.40	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	221.40	J/mol×K	298.15	NIST
Cp,liquid	221.80	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	223.90	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	226.00	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
Cp,liquid	228.20	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
Cp,liquid	230.40	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
Cp,liquid	232.70	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
Cp,liquid	234.90	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
Cp,liquid	237.20	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
Cp,liquid	239.60	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
Cp,liquid	242.00	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
ΔfusH	[0.98; 8.36]	kJ/mol	[191.00; 257.50]
ΔfusH	3.64	kJ/mol	191.00	NIST
ΔfusH	0.98	kJ/mol	245.00	NIST
ΔfusH	8.36	kJ/mol	257.50	NIST
ΔfusH	8.36	kJ/mol	257.50	NIST
ΔfusH	8.36	kJ/mol	257.50	NIST
ΔvapH	[34.76; 40.00]	kJ/mol	[349.00; 475.00]
ΔvapH	37.70 ± 0.10	kJ/mol	349.00	NIST
ΔvapH	37.70 ± 0.10	kJ/mol	349.00	NIST
ΔvapH	40.00	kJ/mol	362.00	NIST
ΔvapH	36.40 ± 0.10	kJ/mol	369.00	NIST
ΔvapH	36.40 ± 0.10	kJ/mol	369.00	NIST
ΔvapH	37.70	kJ/mol	375.00	NIST
ΔvapH	34.80 ± 0.10	kJ/mol	391.00	NIST
ΔvapH	34.80 ± 0.10	kJ/mol	391.00	NIST
ΔvapH	34.76 ± 0.01	kJ/mol	391.10	NIST
ΔvapH	34.76 ± 0.01	kJ/mol	391.10	NIST
ΔvapH	34.76	kJ/mol	391.20	NIST
ΔvapH	35.20	kJ/mol	475.00	NIST
ΔfusS	[4.01; 32.45]	J/mol×K	[191.00; 257.50]
ΔfusS	19.04	J/mol×K	191.00	NIST
ΔfusS	4.01	J/mol×K	245.00	NIST
ΔfusS	32.45	J/mol×K	257.50	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[142.66; 238.77]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			7.83700e+01
Coefficient B			2.63200e-01
Coefficient C			-1.01000e-04
Coefficient D			-1.80000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	142.66	J/mol×K	273.00	Calculated Property
Cp,gas	158.76	J/mol×K	353.78	Calculated Property
Cp,gas	173.52	J/mol×K	434.56	Calculated Property
Cp,gas	186.94	J/mol×K	515.33	Calculated Property
Cp,gas	198.99	J/mol×K	596.11	Calculated Property
Cp,gas	209.69	J/mol×K	676.89	Calculated Property
Cp,gas	219.03	J/mol×K	757.67	Calculated Property
Cp,gas	226.99	J/mol×K	838.44	Calculated Property
Cp,gas	233.57	J/mol×K	919.22	Calculated Property
Cp,gas	238.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[288.73; 416.53]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.44250e+01
Coefficient B			-3.27746e+03
Coefficient C			-5.69020e+01
Temperature range, min.			288.73
Temperature range, max.			416.53
Pvap	1.33	kPa	288.73	Calculated Property
Pvap	3.01	kPa	302.93	Calculated Property
Pvap	6.24	kPa	317.13	Calculated Property
Pvap	11.97	kPa	331.33	Calculated Property
Pvap	21.53	kPa	345.53	Calculated Property
Pvap	36.68	kPa	359.73	Calculated Property
Pvap	59.56	kPa	373.93	Calculated Property
Pvap	92.77	kPa	388.13	Calculated Property
Pvap	139.33	kPa	402.33	Calculated Property
Pvap	202.66	kPa	416.53	Calculated Property
Pvap	[4.07; 3010.89]	kPa	[308.15; 565.76]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			9.08383e+01
Coefficient B			-7.91458e+03
Coefficient C			-1.12535e+01
Coefficient D			7.77116e-06
Coefficient E			0.00000e+00
Temperature range, min.			308.15
Temperature range, max.			565.76
Pvap	4.07	kPa	308.15	Calculated Property
Pvap	15.33	kPa	336.77	Calculated Property
Pvap	45.11	kPa	365.40	Calculated Property
Pvap	110.25	kPa	394.02	Calculated Property
Pvap	234.06	kPa	422.64	Calculated Property
Pvap	446.01	kPa	451.27	Calculated Property
Pvap	781.71	kPa	479.89	Calculated Property
Pvap	1283.97	kPa	508.51	Calculated Property
Pvap	2005.09	kPa	537.14	Calculated Property
Pvap	3010.89	kPa	565.76	Calculated Property
Pvap	[4.19; 205.14]	kPa	[308.73; 417.28]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42591e+01
Coefficient B			-3.19705e+03
Coefficient C			-5.94850e+01
Reference			Ambrose, 1968, 2
Temperature range, min.			308.73
Temperature range, max.			417.28
Pvap	4.19	kPa	308.73	Calculated Property
Pvap	7.57	kPa	320.79	Calculated Property
Pvap	12.99	kPa	332.85	Calculated Property
Pvap	21.29	kPa	344.91	Calculated Property
Pvap	33.53	kPa	356.97	Calculated Property
Pvap	50.96	kPa	369.04	Calculated Property
Pvap	75.07	kPa	381.10	Calculated Property
Pvap	107.53	kPa	393.16	Calculated Property
Pvap	150.20	kPa	405.22	Calculated Property
Pvap	205.14	kPa	417.28	Calculated Property
Pvap	[149.58; 2297.67]	kPa	[403.44; 546.44]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.54978e+01
Coefficient B			-4.26001e+03
Coefficient C			2.66400e+00
Reference			Evans and Tiley, 1966, 2
Temperature range, min.			403.44
Temperature range, max.			546.44
Pvap	149.58	kPa	403.44	Calculated Property
Pvap	222.02	kPa	419.33	Calculated Property
Pvap	320.25	kPa	435.22	Calculated Property
Pvap	450.22	kPa	451.11	Calculated Property
Pvap	618.53	kPa	467.00	Calculated Property
Pvap	832.27	kPa	482.88	Calculated Property
Pvap	1099.01	kPa	498.77	Calculated Property
Pvap	1426.67	kPa	514.66	Calculated Property
Pvap	1823.43	kPa	530.55	Calculated Property
Pvap	2297.67	kPa	546.44	Calculated Property
Pvap	[4.19; 205.14]	kPa	[308.73; 417.28]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42591e+01
Coefficient B			-3.19705e+03
Coefficient C			-5.94850e+01
Reference			Ambrose, 1968
Temperature range, min.			308.73
Temperature range, max.			417.28
Pvap	4.19	kPa	308.73	Calculated Property
Pvap	7.57	kPa	320.79	Calculated Property
Pvap	12.99	kPa	332.85	Calculated Property
Pvap	21.29	kPa	344.91	Calculated Property
Pvap	33.53	kPa	356.97	Calculated Property
Pvap	50.96	kPa	369.04	Calculated Property
Pvap	75.07	kPa	381.10	Calculated Property
Pvap	107.53	kPa	393.16	Calculated Property
Pvap	150.20	kPa	405.22	Calculated Property
Pvap	205.14	kPa	417.28	Calculated Property
Pvap	[149.58; 2297.67]	kPa	[403.44; 546.44]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.54978e+01
Coefficient B			-4.26001e+03
Coefficient C			2.66400e+00
Reference			Evans and Tiley, 1966
Temperature range, min.			403.44
Temperature range, max.			546.44
Pvap	149.58	kPa	403.44	Calculated Property
Pvap	222.02	kPa	419.33	Calculated Property
Pvap	320.25	kPa	435.22	Calculated Property
Pvap	450.22	kPa	451.11	Calculated Property
Pvap	618.53	kPa	467.00	Calculated Property
Pvap	832.27	kPa	482.88	Calculated Property
Pvap	1099.01	kPa	498.77	Calculated Property
Pvap	1426.67	kPa	514.66	Calculated Property
Pvap	1823.43	kPa	530.55	Calculated Property
Pvap	2297.67	kPa	546.44	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, chloropentafluoro-.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• 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

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