Chemical Properties of 2-Propanol, 1,1,1,3,3,3-hexafluoro- (CAS 920-66-1)

InChI

InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H

InChI Key

BYEAHWXPCBROCE-UHFFFAOYSA-N

Formula

C3H2F6O

SMILES

OC(C(F)(F)F)C(F)(F)F

Molecular Weight¹

168.04

CAS

920-66-1

Other Names

• 1,1,1,3,3,3-Hexafluoro-2-hydroxypropane
• 1,1,1,3,3,3-Hexafluoro-2-propanol
• 1,1,1,3,3,3-Hexafluoroisopropanol
• 1,1,1,3,3,3-Hexafluoroisopropyl alcohol
• 1,1,1,3,3,3-Hexafluoropropan-2-ol
• 1,1,1,3,3,3-Hexafluoropropanol
• 2,2,2-Trifluoro-1-(trifluoromethyl)ethanol
• 2H-Hexafluoroisopropanol
• Bis(trifluoromethyl)methanol
• CF3CH(OH)CF3
• Ethanol, 2,2,2-trifluoro-1-(trifluoromethyl)-
• HFIP
• Hexafluoro-2-propanol
• Hexafluoroisopropanol
• Hexafluoroisopropyl alcohol
• NSC 96336

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (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_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).
• 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
PAff	686.60	kJ/mol	NIST
BasG	656.20	kJ/mol	NIST
ΔfG°	-1328.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-1456.92	kJ/mol	Joback Calculated Property
ΔfusH°	7.74	kJ/mol	Joback Calculated Property
ΔvapH°	[41.58; 41.60]	kJ/mol
ΔvapH°	41.58	kJ/mol	NIST
ΔvapH°	41.60	kJ/mol	NIST
IE	[11.94; 12.23]	eV
IE	11.94	eV	NIST
IE	12.23	eV	NIST
log10WS	-1.78		Crippen Calculated Property
logPoct/wat	1.472		Crippen Calculated Property
McVol	69.620	ml/mol	McGowan Calculated Property
Pc	3727.11	kPa	Joback Calculated Property
Tboil	[331.00; 332.20]	K
Tboil	331.00	K	NIST
Tboil	332.20	K	NIST
Tc	485.00	K	Joback Calculated Property
Tfus	177.77	K	Joback Calculated Property
Vc	0.302	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[152.66; 186.58]	J/mol×K	[348.94; 485.00]
Cp,gas	152.66	J/mol×K	348.94	Joback Calculated Property
Cp,gas	159.24	J/mol×K	371.62	Joback Calculated Property
Cp,gas	165.43	J/mol×K	394.29	Joback Calculated Property
Cp,gas	171.24	J/mol×K	416.97	Joback Calculated Property
Cp,gas	176.70	J/mol×K	439.65	Joback Calculated Property
Cp,gas	181.81	J/mol×K	462.32	Joback Calculated Property
Cp,gas	186.58	J/mol×K	485.00	Joback Calculated Property
ΔvapH	[40.20; 47.30]	kJ/mol	[284.50; 312.00]
ΔvapH	47.30	kJ/mol	284.50	NIST
ΔvapH	40.20	kJ/mol	312.00	NIST
ρl	1604.84	kg/m3	298.15	Liquid ...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[255.86; 349.50]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.72410e+01
Coefficient B			-3.76991e+03
Coefficient C			-3.34880e+01
Temperature range, min.			255.86
Temperature range, max.			349.50
Pvap	1.33	kPa	255.86	Calculated Property
Pvap	2.85	kPa	266.26	Calculated Property
Pvap	5.69	kPa	276.67	Calculated Property
Pvap	10.75	kPa	287.07	Calculated Property
Pvap	19.31	kPa	297.48	Calculated Property
Pvap	33.18	kPa	307.88	Calculated Property
Pvap	54.81	kPa	318.29	Calculated Property
Pvap	87.39	kPa	328.69	Calculated Property
Pvap	134.99	kPa	339.10	Calculated Property
Pvap	202.62	kPa	349.50	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanol, 1,1,1,3,3,3-hexafluoro-.

Mixtures

• 2-Propanol, 1,1,1,3,3,3-hexafluoro- + Hexane, tetradecafluoro- + Water
• 2-Propanol, 1,1,1,3,3,3-hexafluoro- + Perfluoro(methylcyclohexane) + Water
• 2-Propanol, 1,1,1,3,3,3-hexafluoro- + Hexane, tetradecafluoro- + Methyl Alcohol
• 2-Propanol, 1,1,1,3,3,3-hexafluoro- + Perfluoro(methylcyclohexane) + Methyl Alcohol
• 2-Propanol, 1,1,1,3,3,3-hexafluoro- + Water
• 2-Propanol, 1,1,1,3,3,3-hexafluoro- + helium + Water
• 2-Propanol, 1,1,1,3,3,3-hexafluoro- + Argon + Water
• 2-Propanol, 1,1,1,3,3,3-hexafluoro- + Krypton + Water
• 2-Propanol, 1,1,1,3,3,3-hexafluoro- + Xenon + Water
• 2-Propanol, 1,1,1,3,3,3-hexafluoro- + neon + Water
• 2-Propanol, 1,1,1,3,3,3-hexafluoro- + Hydrogen + Water
• 2-Propanol, 1,1,1,3,3,3-hexafluoro- + Nitrogen + Water
• 2-Propanol, 1,1,1,3,3,3-hexafluoro- + Oxygen + Water
• 2-Propanol, 1,1,1,3,3,3-hexafluoro- + Methane + Water
• 2-Propanol, 1,1,1,3,3,3-hexafluoro- + Ethane + Water
• 2-Propanol, 1,1,1,3,3,3-hexafluoro- + Ethylene + Water
• 2-Propanol, 1,1,1,3,3,3-hexafluoro- + Tetrafluoromethane + Water
• 2-Propanol, 1,1,1,3,3,3-hexafluoro- + Sulfur hexafluoride + Water
• 2-Propanol, 1,1,1,3,3,3-hexafluoro- + Carbon dioxide + Water

Sources

• Crippen Method
• Crippen Method
• Solubility of gases in fluoroorganic alcohols. Part II. Solubilities of noble gases in (water + 1,1,1,3,3,3-hexafluoropropan-2-ol) at 298.15 K and 101.33 kPa
• Solubility of gases in fluoroorganic alcohols. Part III. Solubilities of several non-polar gases in water + 1,1,1,3,3,3-hexafluoropropan-2-ol at 298.15 K and 101.33 kPa
• Liquid Liquid Equilibria in Ternary Systems of Hexafluoroisopropanol + Perfluorocarbon + Water or Methanol at 298.15 K
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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