Chemical Properties of Perfluorobutyl iodide (CAS 423-39-2)

InChI

InChI=1S/C4F9I/c5-1(6,3(9,10)11)2(7,8)4(12,13)14

InChI Key

PGRFXXCKHGIFSV-UHFFFAOYSA-N

Formula

C4F9I

SMILES

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

Molecular Weight¹

345.93

CAS

423-39-2

Other Names

• 1,1,1,2,2,3,3,4,4-nonafluoro-4-iodobutane
• 1-Iodononafluorobutane
• Butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-iodo-
• Nonafluoro-1-iodobutane
• Nonafluorobutyl iodide
• m-Nonafluorobutyl iodide
• n-Nonafluorobutyl iodide

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[175.36; 304.37]	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			-3.21300e+01
Coefficient B			1.03220e+00
Coefficient C			-1.11000e-03
Coefficient D			4.14300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	175.36	J/mol×K	273.00	Calculated Property
Cp,gas	212.46	J/mol×K	353.78	Calculated Property
Cp,gas	240.81	J/mol×K	434.56	Calculated Property
Cp,gas	261.72	J/mol×K	515.33	Calculated Property
Cp,gas	276.50	J/mol×K	596.11	Calculated Property
Cp,gas	286.47	J/mol×K	676.89	Calculated Property
Cp,gas	292.93	J/mol×K	757.67	Calculated Property
Cp,gas	297.19	J/mol×K	838.44	Calculated Property
Cp,gas	300.57	J/mol×K	919.22	Calculated Property
Cp,gas	304.37	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Perfluorobutyl iodide.

Sources

• 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).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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