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

• HEXADECAFLUOROHEPTANE
• N-PERFLUOROHEPTANE
• PERFLUORO-N-HEPTANE
• Perfluoroheptane

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas 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).
• ν : Kinematic viscosity (m²/s).
• 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_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	0.5560		KDB
ΔcH°liquid	-1757.40 ± 0.88	kJ/mol	NIST
ΔfG°	-3089.00	kJ/mol	KDB
ΔfH°gas	-3387.00	kJ/mol	KDB
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
log10WS	-5.65		Crippen Calculated Property
logPoct/wat	5.288		Crippen Calculated Property
McVol	137.810	ml/mol	McGowan Calculated Property
Pc	[1610.00; 1650.00]	kPa
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	474.80	K	KDB
Tc	475.00 ± 2.00	K	NIST
Tc	Outlier 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	195.00	K	KDB
Tfus	180.00 ± 0.20	K	NIST
Tfus	197.15 ± 1.50	K	NIST
Ttriple	221.87 ± 0.05	K	NIST
Vc	0.664	m3/kmol	KDB
Zc	0.2724810		KDB

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
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	Viscosi...
ν	0.0000005	m2/s	303.15	Viscosi...
ν	0.0000005	m2/s	308.15	Viscosi...
ν	0.0000004	m2/s	313.15	Viscosi...
ν	0.0000004	m2/s	318.15	Viscosi...
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 ...
csound,fluid	[457.24; 608.30]	m/s	[278.15; 333.15]
csound,fluid	608.30	m/s	278.15	Propert...
csound,fluid	578.42	m/s	288.15	Propert...
csound,fluid	548.73	m/s	298.15	Propert...
csound,fluid	517.47	m/s	308.15	Propert...
csound,fluid	500.56	m/s	318.15	Propert...
csound,fluid	470.60	m/s	328.15	Propert...
csound,fluid	457.24	m/s	333.15	Propert...
γ	[0.01; 0.01]	N/m	[289.05; 318.45]
γ	0.01	N/m	289.05	Surface...
γ	0.01	N/m	293.25	Surface...
γ	0.01	N/m	298.25	Surface...
γ	0.01	N/m	303.45	Surface...
γ	0.01	N/m	308.45	Surface...
γ	0.01	N/m	313.45	Surface...
γ	0.01	N/m	318.45	Surface...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[264.52; 376.72]	The Yaw...
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 Vap...
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
• 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

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