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.
• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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_l : Liquid Density (kg/m³).
• 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).
• 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	0.5560		KDB
ΔfG°	-3089.00	kJ/mol	KDB
ΔfH°gas	-3387.00	kJ/mol	KDB
ΔfusH°	11.27	kJ/mol	Joback Calculated Property
ΔvapH°	39.02	kJ/mol	Relay (1.0) Calculated Property
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	1620.00	kPa	KDB
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	474.80	K	KDB
Tfus	195.00	K	KDB
Vc	0.664	m3/kmol	KDB
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
Cp,gas	[318.17; 387.99]	J/mol×K	[325.27; 433.55]
Cp,gas	318.17	J/mol×K	325.27	Joback Calculated Property
Cp,gas	331.58	J/mol×K	343.32	Joback Calculated Property
Cp,gas	344.25	J/mol×K	361.36	Joback Calculated Property
Cp,gas	356.20	J/mol×K	379.41	Joback Calculated Property
Cp,gas	367.46	J/mol×K	397.46	Joback Calculated Property
Cp,gas	378.05	J/mol×K	415.51	Joback Calculated Property
Cp,gas	387.99	J/mol×K	433.55	Joback Calculated Property
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
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
Pvap	[1.33; 202.66]	kPa	[264.52; 376.72]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.24433e+02
Coefficient B			-8.58006e+03
Coefficient C			-1.66191e+01
Coefficient D			1.52404e-05
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

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
• 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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