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).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_p,solid : Solid phase 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[37.41; 42.86]	J/mol×K	[457.67; 2000.00]	NIST
Equation			Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.77976e+01
Coefficient B			2.25453e-01
Coefficient C			-9.12556e-01
Coefficient D			1.03491e+00
Coefficient E			-8.38260e-02
Reference			Chase, 1998
Temperature range, min.			457.67
Temperature range, max.			2000.00
Cp,gas	37.41	J/mol×K	457.67	Calculated Property
Cp,gas	37.62	J/mol×K	629.04	Calculated Property
Cp,gas	37.79	J/mol×K	800.41	Calculated Property
Cp,gas	38.02	J/mol×K	971.78	Calculated Property
Cp,gas	38.34	J/mol×K	1143.15	Calculated Property
Cp,gas	38.82	J/mol×K	1314.52	Calculated Property
Cp,gas	39.48	J/mol×K	1485.89	Calculated Property
Cp,gas	40.34	J/mol×K	1657.26	Calculated Property
Cp,gas	41.46	J/mol×K	1828.63	Calculated Property
Cp,gas	42.86	J/mol×K	2000.00	Calculated Property
Cp,gas	[42.40; 30.95]	J/mol×K	[2000.00; 6000.00]	NIST
Equation			Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K
Coefficient A			7.67341e+01
Coefficient B			-4.04578e+00
Coefficient C			-1.84814e+00
Coefficient D			2.19044e-01
Coefficient E			-8.23938e+01
Reference			Chase, 1998
Temperature range, min.			2000.00
Temperature range, max.			6000.00
Cp,gas	42.40	J/mol×K	2000.00	Calculated Property
Cp,gas	45.21	J/mol×K	2444.44	Calculated Property
Cp,gas	45.03	J/mol×K	2888.89	Calculated Property
Cp,gas	43.41	J/mol×K	3333.33	Calculated Property
Cp,gas	41.11	J/mol×K	3777.78	Calculated Property
Cp,gas	38.57	J/mol×K	4222.22	Calculated Property
Cp,gas	36.08	J/mol×K	4666.67	Calculated Property
Cp,gas	33.87	J/mol×K	5111.11	Calculated Property
Cp,gas	32.11	J/mol×K	5555.56	Calculated Property
Cp,gas	30.95	J/mol×K	6000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[80.67; 80.67]	J/mol×K	[386.75; 457.67]	NIST
Equation			Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,liquid in J/mol×K, T in K
Coefficient A			8.06692e+01
Coefficient B			6.85565e-08
Coefficient C			-8.72435e-08
Coefficient D			3.72313e-08
Coefficient E			4.73583e-10
Reference			Chase, 1998
Temperature range, min.			386.75
Temperature range, max.			457.67
Cp,liquid	80.67	J/mol×K	386.75	Calculated Property
Cp,liquid	80.67	J/mol×K	394.63	Calculated Property
Cp,liquid	80.67	J/mol×K	402.51	Calculated Property
Cp,liquid	80.67	J/mol×K	410.39	Calculated Property
Cp,liquid	80.67	J/mol×K	418.27	Calculated Property
Cp,liquid	80.67	J/mol×K	426.15	Calculated Property
Cp,liquid	80.67	J/mol×K	434.03	Calculated Property
Cp,liquid	80.67	J/mol×K	441.91	Calculated Property
Cp,liquid	80.67	J/mol×K	449.79	Calculated Property
Cp,liquid	80.67	J/mol×K	457.67	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[54.43; 63.58]	J/mol×K	[298.00; 386.75]	NIST
Equation			Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,solid in J/mol×K, T in K
Coefficient A			-1.95763e+02
Coefficient B			9.18898e+02
Coefficient C			-1.07924e+03
Coefficient D			5.34322e+02
Coefficient E			5.15640e+00
Reference			Chase, 1998
Temperature range, min.			298.00
Temperature range, max.			386.75
Cp,solid	54.43	J/mol×K	298.00	Calculated Property
Cp,solid	54.84	J/mol×K	307.86	Calculated Property
Cp,solid	55.46	J/mol×K	317.72	Calculated Property
Cp,solid	56.27	J/mol×K	327.58	Calculated Property
Cp,solid	57.24	J/mol×K	337.44	Calculated Property
Cp,solid	58.33	J/mol×K	347.31	Calculated Property
Cp,solid	59.53	J/mol×K	357.17	Calculated Property
Cp,solid	60.81	J/mol×K	367.03	Calculated Property
Cp,solid	62.16	J/mol×K	376.89	Calculated Property
Cp,solid	63.58	J/mol×K	386.75	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005682; 0.0002407]	Pa×s	[386.80; 573.30]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.01134e+01
Coefficient B			1.02128e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			386.80
Temperature range, max.			573.30
η	0.0005682	Pa×s	386.80	Calculated Property
η	0.0004968	Pa×s	407.52	Calculated Property
η	0.0004401	Pa×s	428.24	Calculated Property
η	0.0003942	Pa×s	448.97	Calculated Property
η	0.0003565	Pa×s	469.69	Calculated Property
η	0.0003252	Pa×s	490.41	Calculated Property
η	0.0002989	Pa×s	511.13	Calculated Property
η	0.0002765	Pa×s	531.86	Calculated Property
η	0.0002573	Pa×s	552.58	Calculated Property
η	0.0002407	Pa×s	573.30	Calculated Property

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(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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
Pvap	[0.12; 101.34]	kPa	[311.90; 456.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.23517e+01
Coefficient B			-2.39275e+03
Coefficient C			-1.46589e+02
Reference			Stull, 1947
Temperature range, min.			311.90
Temperature range, max.			456.00
Pvap	0.12	kPa	311.90	Calculated Property
Pvap	0.43	kPa	327.91	Calculated Property
Pvap	1.25	kPa	343.92	Calculated Property
Pvap	3.12	kPa	359.93	Calculated Property
Pvap	6.82	kPa	375.94	Calculated Property
Pvap	13.46	kPa	391.96	Calculated Property
Pvap	24.47	kPa	407.97	Calculated Property
Pvap	41.50	kPa	423.98	Calculated Property
Pvap	66.45	kPa	439.99	Calculated Property
Pvap	101.34	kPa	456.00	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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