Chemical Properties of 1H,1H,7H-Dodecafluoro-1-heptanol (CAS 335-99-9)

InChI

InChI=1S/C7H4F12O/c8-2(9)4(12,13)6(16,17)7(18,19)5(14,15)3(10,11)1-20/h2,20H,1H2

InChI Key

BYKNGMLDSIEFFG-UHFFFAOYSA-N

Formula

C7H4F12O

SMILES

OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

332.09

CAS

335-99-9

Other Names

• 1,1,7-Trihydrododecafluoroheptan-1-ol
• 1,1,7-Trihydrododecafluoroheptanol
• 1,1,7-Trihydroperfluoroheptanol
• 1,1,7-Trihydroperfluoroheptyl alcohol
• 1,1,7H-perfluoroheptanol
• 1-Heptanol, 1H,1H,7H-dodecafluoro-
• 1-Heptanol, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-
• 1H,1H,7H-Dodecafluoro-1-hydroxyheptane
• 1H,1H,7H-Dodecafluoroheptanol
• 1H,1H,7H-Perfluoroheptanol
• 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-1-heptanol
• 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-ol
• NSC 115

• ω : Acentric Factor.
• 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_fusH° : Enthalpy of fusion at standard conditions (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).
• I_np : Non-polar retention indices.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6460		Relay (1.0) Calculated Property
ΔfG°	-2454.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-2705.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.34	kJ/mol	Joback Calculated Property
ΔvapH°	71.56	kJ/mol	Relay (1.0) Calculated Property
IE	10.75	eV	Relay (1.0) Calculated Property
log10WS	-4.72		Relay (1.0) Calculated Property
logPoct/wat	3.420		Crippen Calculated Property
McVol	136.600	ml/mol	McGowan Calculated Property
Pc	2001.91	kPa	Joback Calculated Property
Inp	[850.00; 868.00]
Inp	868.00		NIST
Inp	857.00		NIST
Inp	850.00		NIST
Inp	868.00		NIST
Tboil	442.50 ± 0.50	K	NIST
Tc	600.85	K	Relay (1.0) Calculated Property
Tfus	312.68	K	Relay (1.0) Calculated Property
Vc	0.577	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[358.04; 411.74]	J/mol×K	[426.39; 550.75]
Cp,gas	358.04	J/mol×K	426.39	Joback Calculated Property
Cp,gas	368.54	J/mol×K	447.12	Joback Calculated Property
Cp,gas	378.39	J/mol×K	467.84	Joback Calculated Property
Cp,gas	387.60	J/mol×K	488.57	Joback Calculated Property
Cp,gas	396.21	J/mol×K	509.29	Joback Calculated Property
Cp,gas	404.25	J/mol×K	530.02	Joback Calculated Property
Cp,gas	411.74	J/mol×K	550.75	Joback Calculated Property
ΔvapH	53.40	kJ/mol	400.50	NIST
ρl	[1659.70; 1750.20]	kg/m3	[293.15; 343.15]
ρl	1750.10	kg/m3	293.15	Liquid liquid equilibrium of (1H,1H,7H-perfluoroheptan-1-ol + perfluoroalkane) binary mixtures
ρl	1750.20	kg/m3	293.15	Liquid liquid equilibrium of (1H,1H,7H-perfluoroheptan-1-ol + perfluoroalkane) binary mixtures
ρl	1732.70	kg/m3	303.15	Liquid liquid equilibrium of (1H,1H,7H-perfluoroheptan-1-ol + perfluoroalkane) binary mixtures
ρl	1715.00	kg/m3	313.15	Liquid liquid equilibrium of (1H,1H,7H-perfluoroheptan-1-ol + perfluoroalkane) binary mixtures
ρl	1696.90	kg/m3	323.15	Liquid liquid equilibrium of (1H,1H,7H-perfluoroheptan-1-ol + perfluoroalkane) binary mixtures
ρl	1678.50	kg/m3	333.15	Liquid liquid equilibrium of (1H,1H,7H-perfluoroheptan-1-ol + perfluoroalkane) binary mixtures
ρl	1659.70	kg/m3	343.15	Liquid liquid equilibrium of (1H,1H,7H-perfluoroheptan-1-ol + perfluoroalkane) binary mixtures

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[340.95; 464.84]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.91366e+01
Coefficient B			-6.42651e+03
Temperature range, min.			340.95
Temperature range, max.			464.84
Pvap	1.33	kPa	340.95	Calculated Property
Pvap	2.77	kPa	354.72	Calculated Property
Pvap	5.45	kPa	368.48	Calculated Property
Pvap	10.22	kPa	382.25	Calculated Property
Pvap	18.33	kPa	396.01	Calculated Property
Pvap	31.62	kPa	409.78	Calculated Property
Pvap	52.64	kPa	423.54	Calculated Property
Pvap	84.86	kPa	437.31	Calculated Property
Pvap	132.88	kPa	451.07	Calculated Property
Pvap	202.63	kPa	464.84	Calculated Property

Similar Compounds

Find more compounds similar to 1H,1H,7H-Dodecafluoro-1-heptanol.

Mixtures

• Hexane, tetradecafluoro- + 1H,1H,7H-Dodecafluoro-1-heptanol
• Heptane, hexadecafluoro- + 1H,1H,7H-Dodecafluoro-1-heptanol
• 1H,1H,7H-Dodecafluoro-1-heptanol + Perfluorooctane
• 1H,1H,7H-Dodecafluoro-1-heptanol + nonane, eicosafluoro-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Liquid liquid equilibrium of (1H,1H,7H-perfluoroheptan-1-ol + perfluoroalkane) binary mixtures
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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