Chemical Properties of Heptane, hexadecafluoro- (CAS 335-57-9)

InChI

InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23

InChI Key

LGUZHRODIJCVOC-UHFFFAOYSA-N

Formula

C7F16

SMILES

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

388.05

CAS

335-57-9

Other Names

• N-PERFLUOROHEPTANE
• Perfluoro-n-heptane
• hexadecafluoroheptane
• perfluoroheptane

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_sat : Molar heat capacity at saturation pressure (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).
• ν : Kinematic viscosity (m²/s).
• 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).
• I_np : Non-polar retention indices.
• c_sound,fluid : Speed of sound in fluid (m/s).
• γ : Surface Tension (N/m).
• 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	[0.5559; 0.5560]
ω	0.5559		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.5560		KDB
ΔcH°liquid	-1757.40 ± 0.88	kJ/mol	NIST
ΔfG°	-3089.00	kJ/mol	KDB
ΔfH°gas	[-3387.00; -3385.40]	kJ/mol
ΔfH°gas	-3387.00	kJ/mol	KDB
ΔfH°gas	-3385.40 ± 3.60	kJ/mol	NIST
ΔfH°liquid	-3421.70 ± 3.60	kJ/mol	NIST
ΔfusH°	11.27	kJ/mol	Joback Calculated Property
ΔvapH°	[35.90; 36.34]	kJ/mol
ΔvapH°	36.30 ± 0.30	kJ/mol	NIST
ΔvapH°	35.90	kJ/mol	NIST
ΔvapH°	36.34	kJ/mol	NIST
IE	12.00	eV	Relay (1.0) Calculated Property
logPoct/wat	5.288		Crippen Calculated Property
McVol	137.810	ml/mol	McGowan Calculated Property
Pc	[1610.00; 1750.00]	kPa
Pc	1630.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value
Pc	Outlier 1750.00	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	1620.00	kPa	KDB
Pc	1650.00 ± 150.00	kPa	NIST
Pc	1610.00 ± 13.78	kPa	NIST
Pc	1620.00 ± 20.27	kPa	NIST
Pc	1620.00 ± 20.26	kPa	NIST
ρc	[582.07; 588.67]	kg/m3
ρc	588.67 ± 10.09	kg/m3	NIST
ρc	582.07 ± 3.88	kg/m3	NIST
Inp	[263.00; 300.00]
Inp	300.00		NIST
Inp	263.00		NIST
Tboil	[354.00; 355.66]	K
Tboil	355.66	K	KDB
Tboil	Outlier 354.00 ± 1.00	K	NIST
Tboil	355.60	K	NIST
Tboil	355.05 ± 0.50	K	NIST
Tboil	355.45 ± 0.40	K	NIST
Tboil	354.65 ± 1.00	K	NIST
Tboil	355.66 ± 0.07	K	NIST
Tboil	355.00 ± 2.00	K	NIST
Tc	[474.70; 477.80]	K
Tc	476.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value
Tc	477.75	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	474.80	K	KDB
Tc	475.00 ± 2.00	K	NIST
Tc	477.80 ± 0.50	K	NIST
Tc	474.70 ± 0.50	K	NIST
Tc	474.90 ± 0.50	K	NIST
Tc	474.90 ± 0.60	K	NIST
Tfus	[180.00; 197.15]	K
Tfus	195.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	195.00	K	KDB
Tfus	180.00 ± 0.20	K	NIST
Tfus	197.15 ± 1.50	K	NIST
Ttriple	[221.87; 221.88]	K
Ttriple	221.88	K	Staveley, Lobo and Calado (1981), triple points Compiled value
Ttriple	221.87 ± 0.05	K	NIST
Vc	[0.636; 0.664]	m3/kmol
Vc	0.636	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value
Vc	0.664	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.664	m3/kmol	KDB
Zc	[0.2620000; 0.2724810]
Zc	0.2620000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value
Zc	0.2724810		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
Csat	[374.60; 425.20]	J/mol×K	[220.00; 310.00]
Csat	374.60	J/mol×K	220.00	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
Csat	380.20	J/mol×K	230.00	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
Csat	385.80	J/mol×K	240.00	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
Csat	391.50	J/mol×K	250.00	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
Csat	397.10	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
Csat	402.70	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
Csat	404.50	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
Csat	408.30	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
Csat	413.90	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
Csat	418.50	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
Csat	419.50	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
Csat	425.20	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
ΔfusH	6.95	kJ/mol	221.90	NIST
ΔvapH	[32.60; 37.70]	kJ/mol	[324.00; 418.50]
ΔvapH	34.90	kJ/mol	324.00	NIST
ΔvapH	37.70	kJ/mol	325.00	NIST
ΔvapH	32.60	kJ/mol	418.50	NIST
ν	[0.0000004; 0.0000005]	m2/s	[298.15; 318.15]
ν	0.0000005	m2/s	298.15	Viscosities of Liquid Fluorocompounds
ν	0.0000005	m2/s	303.15	Viscosities of Liquid Fluorocompounds
ν	0.0000005	m2/s	308.15	Viscosities of Liquid Fluorocompounds
ν	0.0000004	m2/s	313.15	Viscosities of Liquid Fluorocompounds
ν	0.0000004	m2/s	318.15	Viscosities of Liquid Fluorocompounds
ρl	[1717.00; 1733.00]	kg/m3	[293.00; 293.15]
ρl	1733.00	kg/m3	293.00	KDB
ρl	1717.00	kg/m3	293.15	Binary vapour-liquid equilibrium data for C7 and C9 straight-chain perfluorocarbons with ethylene
csound,fluid	[457.24; 608.30]	m/s	[278.15; 333.15]
csound,fluid	608.30	m/s	278.15	Properties of saturated fluorocarbons: Experimental data and modeling using perturbed-chain-SAFT
csound,fluid	578.42	m/s	288.15	Properties of saturated fluorocarbons: Experimental data and modeling using perturbed-chain-SAFT
csound,fluid	548.73	m/s	298.15	Properties of saturated fluorocarbons: Experimental data and modeling using perturbed-chain-SAFT
csound,fluid	517.47	m/s	308.15	Properties of saturated fluorocarbons: Experimental data and modeling using perturbed-chain-SAFT
csound,fluid	500.56	m/s	318.15	Properties of saturated fluorocarbons: Experimental data and modeling using perturbed-chain-SAFT
csound,fluid	470.60	m/s	328.15	Properties of saturated fluorocarbons: Experimental data and modeling using perturbed-chain-SAFT
csound,fluid	457.24	m/s	333.15	Properties of saturated fluorocarbons: Experimental data and modeling using perturbed-chain-SAFT
γ	[0.01; 0.01]	N/m	[289.05; 318.45]
γ	0.01	N/m	289.05	Surface Tension of Liquid Fluorocompounds
γ	0.01	N/m	293.25	Surface Tension of Liquid Fluorocompounds
γ	0.01	N/m	298.25	Surface Tension of Liquid Fluorocompounds
γ	0.01	N/m	303.45	Surface Tension of Liquid Fluorocompounds
γ	0.01	N/m	308.45	Surface Tension of Liquid Fluorocompounds
γ	0.01	N/m	313.45	Surface Tension of Liquid Fluorocompounds
γ	0.01	N/m	318.45	Surface Tension of Liquid Fluorocompounds

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[274.94; 503.87]	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			-7.73300e+01
Coefficient B			1.73820e+00
Coefficient C			-1.82200e-03
Coefficient D			6.65000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	274.94	J/mol×K	273.00	Calculated Property
Cp,gas	339.01	J/mol×K	353.78	Calculated Property
Cp,gas	388.52	J/mol×K	434.56	Calculated Property
Cp,gas	425.57	J/mol×K	515.33	Calculated Property
Cp,gas	452.25	J/mol×K	596.11	Calculated Property
Cp,gas	470.68	J/mol×K	676.89	Calculated Property
Cp,gas	482.95	J/mol×K	757.67	Calculated Property
Cp,gas	491.17	J/mol×K	838.44	Calculated Property
Cp,gas	497.44	J/mol×K	919.22	Calculated Property
Cp,gas	503.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[264.52; 376.72]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.53638e+01
Coefficient B			-3.38459e+03
Coefficient C			-4.00210e+01
Temperature range, min.			264.52
Temperature range, max.			376.72
Pvap	1.33	kPa	264.52	Calculated Property
Pvap	2.95	kPa	276.99	Calculated Property
Pvap	6.02	kPa	289.45	Calculated Property
Pvap	11.48	kPa	301.92	Calculated Property
Pvap	20.65	kPa	314.39	Calculated Property
Pvap	35.30	kPa	326.85	Calculated Property
Pvap	57.71	kPa	339.32	Calculated Property
Pvap	90.70	kPa	351.79	Calculated Property
Pvap	137.69	kPa	364.25	Calculated Property
Pvap	202.66	kPa	376.72	Calculated Property
Pvap	[2.20; 1492.13]	kPa	[271.00; 470.92]	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			1.24433e+02
Coefficient B			-8.58006e+03
Coefficient C			-1.66191e+01
Coefficient D			1.52404e-05
Coefficient E			0.00000e+00
Temperature range, min.			271.00
Temperature range, max.			470.92
Pvap	2.20	kPa	271.00	Calculated Property
Pvap	7.92	kPa	293.21	Calculated Property
Pvap	22.72	kPa	315.43	Calculated Property
Pvap	54.75	kPa	337.64	Calculated Property
Pvap	115.43	kPa	359.85	Calculated Property
Pvap	219.34	kPa	382.07	Calculated Property
Pvap	384.35	kPa	404.28	Calculated Property
Pvap	632.23	kPa	426.49	Calculated Property
Pvap	989.97	kPa	448.71	Calculated Property
Pvap	1492.13	kPa	470.92	Calculated Property
Pvap	[2.25; 203.90]	kPa	[271.26; 379.18]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40115e+01
Coefficient B			-2.74830e+03
Coefficient C			-6.30600e+01
Reference			Oliver and Grisard, 1951, 3
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			271.26
Temperature range, max.			379.18
Pvap	2.25	kPa	271.26	Calculated Property
Pvap	4.62	kPa	283.25	Calculated Property
Pvap	8.80	kPa	295.24	Calculated Property
Pvap	15.74	kPa	307.23	Calculated Property
Pvap	26.65	kPa	319.22	Calculated Property
Pvap	43.06	kPa	331.22	Calculated Property
Pvap	66.77	kPa	343.21	Calculated Property
Pvap	99.88	kPa	355.20	Calculated Property
Pvap	144.73	kPa	367.19	Calculated Property
Pvap	203.90	kPa	379.18	Calculated Property
Pvap	[2.25; 203.90]	kPa	[271.26; 379.18]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40115e+01
Coefficient B			-2.74830e+03
Coefficient C			-6.30600e+01
Reference			Oliver and Grisard, 1951
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			271.26
Temperature range, max.			379.18
Pvap	2.25	kPa	271.26	Calculated Property
Pvap	4.62	kPa	283.25	Calculated Property
Pvap	8.80	kPa	295.24	Calculated Property
Pvap	15.74	kPa	307.23	Calculated Property
Pvap	26.65	kPa	319.22	Calculated Property
Pvap	43.06	kPa	331.22	Calculated Property
Pvap	66.77	kPa	343.21	Calculated Property
Pvap	99.88	kPa	355.20	Calculated Property
Pvap	144.73	kPa	367.19	Calculated Property
Pvap	203.90	kPa	379.18	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, hexadecafluoro-.

Mixtures

• Heptane, hexadecafluoro- + 1H,1H,7H-Dodecafluoro-1-heptanol
• Heptane, hexadecafluoro- + Ethylene
• n-Hexane + Heptane, hexadecafluoro-
• Heptane, hexadecafluoro- + Heptane
• Heptane, hexadecafluoro- + Octane
• Heptane, hexadecafluoro- + Pentane, 2,2,4-trimethyl-
• Heptane, hexadecafluoro- + Decane
• Heptane, hexadecafluoro- + Cyclohexane
• Benzene + Heptane, hexadecafluoro-
• Heptane, hexadecafluoro- + Carbon Tetrachloride
• Trichloromethane + Heptane, hexadecafluoro-
• Methylene chloride + Heptane, hexadecafluoro-

Sources

• KDB Vapor Pressure Data
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 ChEDL chemicals 1.5.2, from Marsh, K. N.; Abramson, A.; Ambrose, D.; Morton, D. W.; Nikitin, E.; Tsonopoulos, C.; Young, C. L. Vapor-Liquid Critical Properties of Elements and Compounds. 10. Organic Compounds Containing Halogens. J. Chem. Eng. Data 2007, 52, 1509-1538.
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Staveley, Lobo and Calado (1981), triple points ChEDL chemicals 1.5.2, from Staveley, L. A. K.; Lobo, L. Q.; Calado, J. C. G. Triple-Points of Low Melting Substances and Their Use in Cryogenic Work. Cryogenics 1981, 21, 131-144.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Liquid liquid equilibrium of (1H,1H,7H-perfluoroheptan-1-ol + perfluoroalkane) binary mixtures
• Properties of saturated fluorocarbons: Experimental data and modeling using perturbed-chain-SAFT
• Binary vapour-liquid equilibrium data for C7 and C9 straight-chain perfluorocarbons with ethylene
• Thermodynamic study of (perfluoroalkane + alkane) mixtures: Excess and solvation enthalpies
• Phase Separation in Binary Mixtures Containing Linear Perfluoroalkanes
• Surface Tension of Liquid Fluorocompounds
• Viscosities of Liquid Fluorocompounds
• 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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