Chemical Properties of Iodine (CAS 7553-56-2)

InChI

InChI=1S/I2/c1-2

InChI Key

PNDPGZBMCMUPRI-UHFFFAOYSA-N

Formula

I2

SMILES

II

Molecular Weight¹

253.81

CAS

7553-56-2

Other Names

• Diatomic iodine
• Diiodine
• Eranol
• I2
• Iode
• Iodine crystals
• Iodine sublimed
• Iodine-127
• Iodio
• Iosan Superdip
• Jod
• Jood
• Molecular iodine
• Tincture iodine
• Vistarin

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• S°_{gas,1 bar} : Molar entropy at standard conditions (1 bar) (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• 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
μ	1.30	debye	KDB
EA	[1.72; 2.60]	eV
EA	2.52 ± 0.01	eV	NIST
EA	2.52 ± 0.10	eV	NIST
EA	2.42 ± 0.20	eV	NIST
EA	2.58 ± 0.10	eV	NIST
EA	2.60 ± 0.10	eV	NIST
EA	2.40 ± 0.10	eV	NIST
EA	2.33	eV	NIST
EA	Outlier 1.72 ± 0.05	eV	NIST
ΔfG°	19.38	kJ/mol	KDB
ΔfH°gas	[62.42; 62.47]	kJ/mol
ΔfH°gas	62.47	kJ/mol	KDB
ΔfH°gas	62.42 ± 0.08	kJ/mol	NIST
ΔfusH°	4.57	kJ/mol	Joback Calculated Property
IE	[9.22; 9.50]	eV
IE	9.31 ± 0.00	eV	NIST
IE	9.31 ± 0.00	eV	NIST
IE	9.31 ± 0.00	eV	NIST
IE	9.33	eV	NIST
IE	9.29 ± 0.05	eV	NIST
IE	9.30 ± 0.20	eV	NIST
IE	9.30 ± 0.20	eV	NIST
IE	9.30 ± 0.20	eV	NIST
IE	9.30 ± 0.05	eV	NIST
IE	Outlier 9.50	eV	NIST
IE	9.31 ± 0.00	eV	NIST
IE	9.22 ± 0.01	eV	NIST
IE	9.37	eV	NIST
IE	9.40 ± 0.00	eV	NIST
IE	9.33	eV	NIST
IE	9.36	eV	NIST
IE	9.34	eV	NIST
logPoct/wat	1.771		Crippen Calculated Property
McVol	62.500	ml/mol	McGowan Calculated Property
S°gas,1 bar	260.69 ± 0.01	J/mol×K	NIST
S°solid,1 bar	116.14 ± 0.30	J/mol×K	NIST
Tboil	457.50	K	KDB
Tc	819.00	K	KDB
Tfus	386.80	K	KDB
Vc	0.155	m3/kmol	KDB

Cheméo can also estimate Critical Pressure, Enthalpy of vaporization at standard conditions, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[39.59; 41.20]	J/mol×K	[385.88; 646.43]
Cp,gas	41.08	J/mol×K	385.88	Joback Calculated Property
Cp,gas	41.20	J/mol×K	429.31	Joback Calculated Property
Cp,gas	41.12	J/mol×K	472.73	Joback Calculated Property
Cp,gas	40.89	J/mol×K	516.16	Joback Calculated Property
Cp,gas	40.54	J/mol×K	559.58	Joback Calculated Property
Cp,gas	40.09	J/mol×K	603.01	Joback Calculated Property
Cp,gas	39.59	J/mol×K	646.43	Joback Calculated Property
η	[0.0005718; 0.0057828]	Pa×s	[205.88; 385.88]
η	0.0057828	Pa×s	205.88	Joback Calculated Property
η	0.0030771	Pa×s	235.88	Joback Calculated Property
η	0.0018879	Pa×s	265.88	Joback Calculated Property
η	0.0012789	Pa×s	295.88	Joback Calculated Property
η	0.0009308	Pa×s	325.88	Joback Calculated Property
η	0.0007147	Pa×s	355.88	Joback Calculated Property
η	0.0005718	Pa×s	385.88	Joback Calculated Property
ρl	3740.00	kg/m3	453.00	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.11e-04; 12570.15]	kPa	[242.00; 819.15]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43503e+01
Coefficient B			-3.58505e+03
Coefficient C			-8.91800e+01
Temperature range, min.			242.00
Temperature range, max.			819.15
Pvap	1.11e-04	kPa	242.00	Calculated Property
Pvap	0.11	kPa	306.13	Calculated Property
Pvap	4.93	kPa	370.26	Calculated Property
Pvap	52.72	kPa	434.38	Calculated Property
Pvap	268.27	kPa	498.51	Calculated Property
Pvap	878.54	kPa	562.64	Calculated Property
Pvap	2167.92	kPa	626.77	Calculated Property
Pvap	4412.73	kPa	690.89	Calculated Property
Pvap	7832.80	kPa	755.02	Calculated Property
Pvap	12570.15	kPa	819.15	Calculated Property

Similar Compounds

Find more compounds similar to Iodine.

Mixtures

• Iodine + Hydrogen iodide + Water

Sources

• Crippen Method
• Crippen Method
• A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
• Experimental and computational study of the molecular energetics of the monoiodoanisole isomers
• Experimental and computational study of the thermochemistry of the three iodonitrobenzene isomers
• Thermodynamic and aromaticity studies for the assessment of the halogen...cyano interactions on Iodobenzonitrile
• Experimental and Computational Thermochemical Study of the Three Monoiodophenol Isomers
• Vapor-Liquid Equilibria for the HI + H2O System and the HI + H2O + I2 System
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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