Iodine

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Constants of diatomic molecules, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Quantity Value Units Method Reference Comment
ΔfH°gas14.92 ± 0.02kcal/molReviewCox, Wagman, et al., 1984CODATA Review value
ΔfH°gas14.92kcal/molReviewChase, 1998Data last reviewed in June, 1982
Quantity Value Units Method Reference Comment
S°gas,1 bar62.306 ± 0.001cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
S°gas,1 bar62.306cal/mol*KReviewChase, 1998Data last reviewed in June, 1982

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 457.666 to 2000.2000. to 6000.
A 9.03385118.33990
B 0.053884-0.966965
C -0.218106-0.441717
D 0.2473500.052353
E -0.020035-19.69260
F 12.15790-12.87560
G 73.1166167.21479
H 14.9190014.91900
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1982 Data last reviewed in June, 1982

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Constants of diatomic molecules, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Quantity Value Units Method Reference Comment
ΔfH°liquid3.231kcal/molReviewChase, 1998Data last reviewed in June, 1982
Quantity Value Units Method Reference Comment
S°liquid,1 bar35.937cal/mol*KReviewChase, 1998Data last reviewed in June, 1982
Quantity Value Units Method Reference Comment
S°solid,1 bar27.758 ± 0.072cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
Quantity Value Units Method Reference Comment
S°solid27.758cal/mol*KReviewChase, 1998Data last reviewed in June, 1982

Liquid Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 386.75 to 457.666
A 19.28040
B 1.638540×10-8
C -2.085170×10-8
D 8.898500×10-9
E 1.131891×10-10
F -2.516210
G 59.26860
H 3.232080
ReferenceChase, 1998
Comment Data last reviewed in June, 1982

Solid Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 386.75
A -46.78860
B 219.6220
C -257.9450
D 127.7060
E 1.232410
F 10.34880
G -77.07409
H 0.000000
ReferenceChase, 1998
Comment Data last reviewed in June, 1982

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Constants of diatomic molecules, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
311.9 to 456.3.358581039.159-146.589Stull, 1947Coefficents calculated by NIST from author's data.

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Constants of diatomic molecules, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
B - John E. Bartmess
MS - José A. Martinho Simões
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Reactions 1 to 50

Iodide + Iodine = I3-

By formula: I- + I2 = I3-

Quantity Value Units Method Reference Comment
ΔrH°32.5 ± 2.4kcal/molN/ATaylor, Asmis, et al., 1999gas phase; B
ΔrH°30.1 ± 1.4kcal/molCIDTDo, Klein, et al., 1997gas phase; B
ΔrH°85.10kcal/molTherFinch, Gates, et al., 1977gas phase; This value is far more bound than expected from other studies; B
ΔrH°32.60kcal/molN/ACheck, Faust, et al., 2001gas phase; FeF3-(t); ; ΔS(EA)=2.8; B
Quantity Value Units Method Reference Comment
ΔrG°22.50kcal/molN/ACheck, Faust, et al., 2001gas phase; FeF3-(t); ; ΔS(EA)=2.8; B

Dimanganese decacarbonyl (cr) + Iodine (cr) = 2Manganese, pentacarbonyliodo- (cr)

By formula: C10Mn2O10 (cr) + I2 (cr) = 2C5IMnO5 (cr)

Quantity Value Units Method Reference Comment
ΔrH°-44.2 ± 2.1kcal/molPCHarel and Adamson, 1986The reaction enthalpy was calculated from the enthalpy of the same reaction in cyclohexane, -44.9 ± 2.0 kcal/mol Harel and Adamson, 1986, and from the solution enthalpies of Mn2(CO)10(cr), 8.60 ± 0.50 kcal/mol, I2(cr), 4.90 ± 0.1 kcal/mol, and Mn(CO)5(I)(cr), 6.4 ± 0.1 kcal/mol Harel and Adamson, 1986. The latter value refers to the solution in benzene and is therefore taken as an approximation; MS

Dirhenium decacarbonyl (cr) + Iodine (cr) = 2Rhenium, pentacarbonyliodo- (cr)

By formula: C10O10Re2 (cr) + I2 (cr) = 2C5IO5Re (cr)

Quantity Value Units Method Reference Comment
ΔrH°-41.1 ± 4.3kcal/molPCHarel and Adamson, 1986The reaction enthalpy was calculated from the enthalpy of the same reaction in cyclohexane, -37.6 ± 3.8 kcal/mol, and from the solution enthalpies of Re2(CO)10(cr), 8.20 ± 0.50 kcal/mol, I2(cr), 4.90 ± 0.1 kcal/mol, and Re(CO)5(I)(cr), 8.3 ± 1.0 kcal/mol Harel and Adamson, 1986; MS

Hydrogen iodide + 1-Propene, 3-iodo- = Propene + Iodine

By formula: HI + C3H5I = C3H6 + I2

Quantity Value Units Method Reference Comment
ΔrH°-7.96 ± 0.33kcal/molEqkRodgers, Golden, et al., 1966gas phase; ALS
ΔrH°-9.5 ± 1.0kcal/molEqkRodgers, Golden, et al., 1966gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -8.33 ± 0.23 kcal/mol; At 527 K; ALS

Hydrogen iodide + Methane, iodo- = Methane + Iodine

By formula: HI + CH3I = CH4 + I2

Quantity Value Units Method Reference Comment
ΔrH°-12.56 ± 0.13kcal/molEqkGolden, Walsh, et al., 1965gas phase; ALS
ΔrH°-12.67 ± 0.05kcal/molEqkGoy and Pritchard, 1965gas phase; ALS
ΔrH°-11.0 ± 1.3kcal/molCmNichol and Ubbelohde, 1952gas phase; ALS

C12H16Nb (cr) + 2Iodine (cr) = C10H10I2Nb (cr) + 2Methane, iodo- (l)

By formula: C12H16Nb (cr) + 2I2 (cr) = C10H10I2Nb (cr) + 2CH3I (l)

Quantity Value Units Method Reference Comment
ΔrH°-57.91 ± 0.57kcal/molRSCDiogo, Simoni, et al., 1993The difference between the enthalpies of formation of Nb(Cp)2(I)2 and Nb(Cp)2(Me)2 is calculated as -51.41 ± 0.62 kcal/mol; MS

C20H26CoN5O4 (solution) + Iodine (solution) = C13H19CoIN5O4 (solution) + Benzene, (iodomethyl)- (solution)

By formula: C20H26CoN5O4 (solution) + I2 (solution) = C13H19CoIN5O4 (solution) + C7H7I (solution)

Quantity Value Units Method Reference Comment
ΔrH°-15.1 ± 0.91kcal/molRSCToscano, Seligson, et al., 1989solvent: Bromoform; The enthalpy of solution of Co(py)(dmg)2(Bz)(cr) was measured as 2.70 kcal/mol Toscano, Seligson, et al., 1989; MS

C14H22CoN5O4 (solution) + Iodine (solution) = C13H19CoIN5O4 (solution) + Methane, iodo- (solution)

By formula: C14H22CoN5O4 (solution) + I2 (solution) = C13H19CoIN5O4 (solution) + CH3I (solution)

Quantity Value Units Method Reference Comment
ΔrH°-22.2 ± 0.60kcal/molRSCToscano, Seligson, et al., 1989solvent: Bromoform; The enthalpy of solution of Co(py)(dmg)2(Me)(cr) was measured as 2.61 kcal/mol Toscano, Seligson, et al., 1989; MS

Hydromanganese pentacarbonyl (l) + Iodine (cr) = Hydrogen iodide (g) + Manganese, pentacarbonyliodo- (cr)

By formula: C5HMnO5 (l) + I2 (cr) = HI (g) + C5IMnO5 (cr)

Quantity Value Units Method Reference Comment
ΔrH°-26. ± 2.kcal/molRSCConnor, Zafarani-Moattar, et al., 1982The reaction enthalpy relies on -6. ± 1. kcal/mol for the enthalpy of solution of HI(g) in benzene Connor, Zafarani-Moattar, et al., 1982.; MS

Ethylene + Iodine = Ethane, 1,2-diiodo-

By formula: C2H4 + I2 = C2H4I2

Quantity Value Units Method Reference Comment
ΔrH°-11.5 ± 0.2kcal/molEqkAbrams and Davis, 1954gas phase; ALS
ΔrH°-13.4 ± 0.5kcal/molEqkCutherbertson and Kistiakowsky, 1935gas phase; Heat of dissociation; ALS

Iodine + Chlorotrifluoromethane = Methane, trifluoroiodo- + Iodine monochloride

By formula: I2 + CClF3 = CF3I + ClI

Quantity Value Units Method Reference Comment
ΔrH°17.27 ± 0.26kcal/molEqkLord, Goy, et al., 1967gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 17.10 ± 0.17 kcal/mol; ALS

Hydrogen iodide + Cyclohexane, iodo- = Cyclohexane + Iodine

By formula: HI + C6H11I = C6H12 + I2

Quantity Value Units Method Reference Comment
ΔrH°-7.8 ± 2.0kcal/molCmBrennan and Ubbelohde, 1956gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -6.8 ± 1.0 kcal/mol; ALS

Ethane, 1,1,1-trifluoro- + Iodine = Hydrogen iodide + 1,1,1-Trifluoro-2-iodoethane

By formula: C2H3F3 + I2 = HI + C2H2F3I

Quantity Value Units Method Reference Comment
ΔrH°-15.3 ± 0.5kcal/molEqkWu and Rodgers, 1974gas phase; Heat of formation Unpublished results by B.J. Zwolinski; ALS

2-Bromo-1,1,1-trifluoroethane + Iodine = 1,1,1-Trifluoro-2-iodoethane + iodine bromide

By formula: C2H2BrF3 + I2 = C2H2F3I + BrI

Quantity Value Units Method Reference Comment
ΔrH°6.6 ± 0.5kcal/molEqkBuckley, Ford, et al., 1980gas phase; GLC;hf298_gas[kcal/mol]=-166.8±1.1; Kolesov and Papina, 1983; ALS

Mercury, dimethyl- (l) + 2Iodine (cr) = 2Methane, iodo- (l) + Mercury diiodide (cr)

By formula: C2H6Hg (l) + 2I2 (cr) = 2CH3I (l) + HgI2 (cr)

Quantity Value Units Method Reference Comment
ΔrH°-44.1 ± 0.2kcal/molRSCHartley, Pritchard, et al., 1950Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

Dirhenium decacarbonyl (solution) + Iodine (solution) = 2Rhenium, pentacarbonyliodo- (solution)

By formula: C10O10Re2 (solution) + I2 (solution) = 2C5IO5Re (solution)

Quantity Value Units Method Reference Comment
ΔrH°-37.6 ± 3.8kcal/molPCHarel and Adamson, 1986solvent: Cyclohexane; Please also see Adamson, Vogler, et al., 1978.; MS

Gallium trimethyl (l) + 3Iodine (cr) = GaI3 (cr) + 3Methane, iodo- (l)

By formula: C3H9Ga (l) + 3I2 (cr) = GaI3 (cr) + 3CH3I (l)

Quantity Value Units Method Reference Comment
ΔrH°-47.8 ± 2.0kcal/molRSCFowell and Mortimer, 1958Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

Gallium trimethyl (l) + 2Iodine (cr) = CH3GaI2 (cr) + 2Methane, iodo- (l)

By formula: C3H9Ga (l) + 2I2 (cr) = CH3GaI2 (cr) + 2CH3I (l)

Quantity Value Units Method Reference Comment
ΔrH°-37.9 ± 1.0kcal/molRSCFowell and Mortimer, 1958Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

Hexamethylditin (l) + Iodine (cr) = 2C3H9ISn (l)

By formula: C6H18Sn2 (l) + I2 (cr) = 2C3H9ISn (l)

Quantity Value Units Method Reference Comment
ΔrH°-44.00 ± 0.69kcal/molRSCPedley, Skinner, et al., 1957Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

1,2-Diiodobutane = 1-Butene + Iodine

By formula: C4H8I2 = C4H8 + I2

Quantity Value Units Method Reference Comment
ΔrH°12.0 ± 1.5kcal/molCmCline and Kistiakowsky, 1937gas phase; Heat of formation derived by Cox and Pilcher, 1970; ALS

Tungsten, tricarbonyl(η5-2,4-cyclopentadien-1-yl)hydro- (cr) + Iodine (solution) = Hydrogen iodide (solution) + C8H5IO3W (solution)

By formula: C8H6O3W (cr) + I2 (solution) = HI (solution) + C8H5IO3W (solution)

Quantity Value Units Method Reference Comment
ΔrH°-16.1 ± 0.91kcal/molRSCLandrum and Hoff, 1985solvent: Dichloromethane; MS

C15H12MoO3 (solution) + Iodine (solution) = C8H5IMoO3 (solution) + Benzene, (iodomethyl)- (solution)

By formula: C15H12MoO3 (solution) + I2 (solution) = C8H5IMoO3 (solution) + C7H7I (solution)

Quantity Value Units Method Reference Comment
ΔrH°-28.8 ± 1.0kcal/molRSCNolan, de la Vega, et al., 1988solvent: Tetrahydrofuran; MS

C8H6MoO3 (cr) + Iodine (solution) = C8H5IMoO3 (solution) + Hydrogen iodide (solution)

By formula: C8H6MoO3 (cr) + I2 (solution) = C8H5IMoO3 (solution) + HI (solution)

Quantity Value Units Method Reference Comment
ΔrH°-18.0 ± 0.60kcal/molRSCLandrum and Hoff, 1985solvent: Dichloromethane; MS

C10MnO10Re (solution) + Iodine (solution) = Rhenium, pentacarbonyliodo- (solution) + Manganese, pentacarbonyliodo- (solution)

By formula: C10MnO10Re (solution) + I2 (solution) = C5IO5Re (solution) + C5IMnO5 (solution)

Quantity Value Units Method Reference Comment
ΔrH°-55.7 ± 3.0kcal/molPCHarel and Adamson, 1986solvent: Cyclohexane; MS

C8H5MoNaO3 (solution) + Iodine (cr) = C8H5IMoO3 (solution) + Sodium iodide (cr)

By formula: C8H5MoNaO3 (solution) + I2 (cr) = C8H5IMoO3 (solution) + INa (cr)

Quantity Value Units Method Reference Comment
ΔrH°-31.8 ± 1.3kcal/molRSCNolan, López de la Vega, et al., 1986solvent: Tetrahydrofuran; MS

1,2-Diiodotetrafluoroethane = Ethene, tetrafluoro- + Iodine

By formula: C2F4I2 = C2F4 + I2

Quantity Value Units Method Reference Comment
ΔrH°16.6 ± 0.5kcal/molEqkWu, Pickard, et al., 1975gas phase; Spectrophotometery at 298.15°K; ALS

2Propyl mercaptan + Iodine = 2Hydrogen iodide + Disulfide, dipropyl

By formula: 2C3H8S + I2 = 2HI + C6H14S2

Quantity Value Units Method Reference Comment
ΔrH°-29.85kcal/molCmSunner, 1955liquid phase; solvent: Ethanol/water(90/10); ALS

21-Pentanethiol + Iodine = 2Hydrogen iodide + Disulfide, dipentyl

By formula: 2C5H12S + I2 = 2HI + C10H22S2

Quantity Value Units Method Reference Comment
ΔrH°-29.85kcal/molCmSunner, 1955liquid phase; solvent: Ethanol/water(90/10); ALS

1,4-Butanedithiol + Iodine = 2Hydrogen iodide + 1,2-Dithiane

By formula: C4H10S2 + I2 = 2HI + C4H8S2

Quantity Value Units Method Reference Comment
ΔrH°-29.45kcal/molCmSunner, 1955liquid phase; solvent: Ethanol/water(90/10); ALS

Octanoic acid, 6,8-dimercapto- + Iodine = 2Hydrogen iodide + Thioctic acid

By formula: C8H16O2S2 + I2 = 2HI + C8H14O2S2

Quantity Value Units Method Reference Comment
ΔrH°-26.20kcal/molCmSunner, 1955liquid phase; solvent: Ethanol/water(90/10); ALS

C22H36Zr (solution) + 2Iodine (solution) = C20H30I2Zr (solution) + 2Methane, iodo- (solution)

By formula: C22H36Zr (solution) + 2I2 (solution) = C20H30I2Zr (solution) + 2CH3I (solution)

Quantity Value Units Method Reference Comment
ΔrH°-70.00 ± 0.60kcal/molRSCSchock and Marks, 1988solvent: Toluene; MS

1,3-Propanedithiol + Iodine = 2Hydrogen iodide + 1,2-Dithiolane

By formula: C3H8S2 + I2 = 2HI + C3H6S2

Quantity Value Units Method Reference Comment
ΔrH°-25.75kcal/molCmSunner, 1955liquid phase; solvent: Ethanol/water(90/10); ALS

C12H16Zr (solution) + 2Iodine (solution) = C10H10I2Zr (solution) + 2Methane, iodo- (solution)

By formula: C12H16Zr (solution) + 2I2 (solution) = C10H10I2Zr (solution) + 2CH3I (solution)

Quantity Value Units Method Reference Comment
ΔrH°-69.60 ± 0.60kcal/molRSCSchock and Marks, 1988solvent: Toluene; MS

C22H30O2Zr (solution) + Iodine (solution) = C20H30I2Zr (solution) + 2Carbon monoxide (solution)

By formula: C22H30O2Zr (solution) + I2 (solution) = C20H30I2Zr (solution) + 2CO (solution)

Quantity Value Units Method Reference Comment
ΔrH°-45.79 ± 0.41kcal/molRSCSchock and Marks, 1988solvent: Toluene; MS

C22H36Hf (solution) + 2Iodine (solution) = C20H30HfI2 (solution) + 2Methane, iodo- (solution)

By formula: C22H36Hf (solution) + 2I2 (solution) = C20H30HfI2 (solution) + 2CH3I (solution)

Quantity Value Units Method Reference Comment
ΔrH°-63.41 ± 0.79kcal/molRSCSchock and Marks, 1988solvent: Toluene; MS

C37H30ClIrO3P2S (solution) + Iodine (solution) = C37H30ClI2IrOP2 (solution) + Sulfur dioxide (solution)

By formula: C37H30ClIrO3P2S (solution) + I2 (solution) = C37H30ClI2IrOP2 (solution) + O2S (solution)

Quantity Value Units Method Reference Comment
ΔrH°-24.59 ± 0.1kcal/molRSCDrago, Nozari, et al., 1979solvent: Benzene; MS

Hydrogen iodide + Benzene, (iodomethyl)- = Toluene + Iodine

By formula: HI + C7H7I = C7H8 + I2

Quantity Value Units Method Reference Comment
ΔrH°-7.8 ± 1.1kcal/molCmGraham, Nichol, et al., 1955liquid phase; solvent: p-Xylene; ALS

Hydrogen + 2Methane, iodo- = 2Methane + Iodine

By formula: H2 + 2CH3I = 2CH4 + I2

Quantity Value Units Method Reference Comment
ΔrH°-30.0 ± 0.6kcal/molChydCarson, Carter, et al., 1961liquid phase; solvent: Ether; ALS

C20H32Zr (solution) + Iodine (solution) = C20H30I2Zr (solution) + Hydrogen (g)

By formula: C20H32Zr (solution) + I2 (solution) = C20H30I2Zr (solution) + H2 (g)

Quantity Value Units Method Reference Comment
ΔrH°-73.90 ± 0.79kcal/molRSCSchock and Marks, 1988solvent: Toluene; MS

C20H32Hf (solution) + Iodine (solution) = C20H30HfI2 (solution) + Hydrogen (g)

By formula: C20H32Hf (solution) + I2 (solution) = C20H30HfI2 (solution) + H2 (g)

Quantity Value Units Method Reference Comment
ΔrH°-70.89 ± 0.69kcal/molRSCSchock and Marks, 1988solvent: Toluene; MS

C16H10O6W2 (cr) + Iodine (solution) = 2C8H5IO3W (solution)

By formula: C16H10O6W2 (cr) + I2 (solution) = 2C8H5IO3W (solution)

Quantity Value Units Method Reference Comment
ΔrH°-34.99 ± 0.91kcal/molRSCLandrum and Hoff, 1985solvent: Dichloromethane; MS

C16H10Mo2O6 (cr) + Iodine (solution) = 2C8H5IMoO3 (solution)

By formula: C16H10Mo2O6 (cr) + I2 (solution) = 2C8H5IMoO3 (solution)

Quantity Value Units Method Reference Comment
ΔrH°-31.8 ± 1.0kcal/molRSCLandrum and Hoff, 1985solvent: Dichloromethane; MS

Dimanganese decacarbonyl (solution) + Iodine (solution) = 2Manganese, pentacarbonyliodo- (solution)

By formula: C10Mn2O10 (solution) + I2 (solution) = 2C5IMnO5 (solution)

Quantity Value Units Method Reference Comment
ΔrH°-44.9 ± 2.0kcal/molPCHarel and Adamson, 1986solvent: Cyclohexane; MS

Iodide + Iodine = (Iodide • Iodine)

By formula: I- + I2 = (I- • I2)

Quantity Value Units Method Reference Comment
ΔrH°24.0kcal/molN/ADowns and Adams, 1973gas phase; from ΔrH(f); M

Hydrogen + 2Ethane, iodo- = 2Ethane + Iodine

By formula: H2 + 2C2H5I = 2C2H6 + I2

Quantity Value Units Method Reference Comment
ΔrH°-21.2 ± 0.80kcal/molChydAshcroft, Carson, et al., 1965liquid phase; ALS

2Propane, 2-iodo- + Mercury diiodide = C6H14Hg + 2Iodine

By formula: 2C3H7I + HgI2 = C6H14Hg + 2I2

Quantity Value Units Method Reference Comment
ΔrH°57.92 ± 0.46kcal/molCmMortimer, Pritchard, et al., 1952liquid phase; ALS

2Propane, 1-iodo- + Mercury diiodide = C6H14Hg + 2Iodine

By formula: 2C3H7I + HgI2 = C6H14Hg + 2I2

Quantity Value Units Method Reference Comment
ΔrH°51.56 ± 0.58kcal/molCmMortimer, Pritchard, et al., 1952liquid phase; ALS

Hydrogen iodide + Methylsulfenyliodide = Methanethiol + Iodine

By formula: HI + CH3IS = CH4S + I2

Quantity Value Units Method Reference Comment
ΔrH°-2.88 ± 0.54kcal/molEqkShum and Benson, 1983gas phase; ALS

Acetone + Iodine = Hydrogen iodide + 1-iodoacetone

By formula: C3H6O + I2 = HI + C3H5IO

Quantity Value Units Method Reference Comment
ΔrH°12.1 ± 1.2kcal/molEqkSolly, Golden, et al., 1970gas phase; ALS

Iodine + Bromotrifluoromethane = Methane, trifluoroiodo- + iodine bromide

By formula: I2 + CBrF3 = CF3I + BrI

Quantity Value Units Method Reference Comment
ΔrH°9.55 ± 0.03kcal/molEqkLord, Goy, et al., 1967gas phase; ALS

Henry's Law data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

k°H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
3.04400.RN/A 
1.1 CN/A missing citation quote a paper as the source that gives only the solubility but not the Henry's law constant.
3.34800.TN/A 
3.14600.RN/A 

Constants of diatomic molecules

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through January, 1977

Symbols used in the table of constants
SymbolMeaning
State electronic state and / or symmetry symbol
Te minimum electronic energy (cm-1)
ωe vibrational constant – first term (cm-1)
ωexe vibrational constant – second term (cm-1)
ωeye vibrational constant – third term (cm-1)
Be rotational constant in equilibrium position (cm-1)
αe rotational constant – first term (cm-1)
γe rotation-vibration interaction constant (cm-1)
De centrifugal distortion constant (cm-1)
βe rotational constant – first term, centrifugal force (cm-1)
re internuclear distance (Å)
Trans. observed transition(s) corresponding to electronic state
ν00 position of 0-0 band (units noted in table)
Diatomic constants for 127I2
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
The absorption spectrum from 450000 to 870000 cm-1 (55.8 to 107.9 eV) at low resolution has been described by Myer and Samson, 1970. It corresponds to excitation from 4d shell to various unfilled orbitals.
↳Comes, Nielsen, et al., 1973
The absorption spectrum in the VUV region at high resolution has most recently been photographed by Venkateswarlu, 1970 who gives an extensive table of observed features in the region 56500 - 75800 cm-1. Most of the bands are assigned to extended Rydberg series converging to a common limit at 75814 cm-1 (9.400 eV), a smaller number to fragments of series converging to 80895 cm-1 (10.03 eV). The limits are assumed to correspond to v=0 of X 2 Πg, 3/2 and 1/2, respectively, of I2+; see, however, 1. Several of the progressions observed in absorption Venkateswarlu, 1970 appear to correspond to emission bands recorded by Haranath and Rao, 1958 under medium resolution in the region 56000 - 68000 cm-1 and classified by them as belonging to twelve systems. See also Cordes, 1935 Myer and Samson, 1970*.
↳Haranath and Rao, 1958; missing citation
I (51973) 2 112.4 H 0.705 0.004       I → (B) 2 R 36197 H
↳Venkateswarlu, 1951; Verma, 1959; Mulliken, 1971
(H) (46063) 103.7 H 0.095        (H → B) 3 R 30283 H
↳Verma, 1959; Mulliken, 1971
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
F (1Σu+) 6 47217.8 95.955 H 0.3623       (3.6) 4 F ↔ X 5 R 47158.6 H
↳Verma, 1959; Mulliken, 1971; missing citation
F' 45230 93.4 H 0.6        F' → X 7 R 45169 H
↳Haranath and Rao, 1958
G' (3Π1g) 9 (42300) 8          G' ← A 
↳Skorko, 1933; Mulliken, 1971
E 3Πo+g 9 41411.4 101.59 H 0.2380       (3.65) E → B 10 R 25630.5 H
↳Haranath and Rao Prasada, 1960; Mulliken, 1971; Wieland, Tellinghuisen, et al., 1972
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
D 1Σu+ 13 (40679) 104.41 H 0.2343 11 0.00045       D ↔ X 12 R (40624)
↳missing citation; Mulliken, 1971; Mulliken, 1971
G 3Π2g 9 (40300) 14          G ← A' 15 
↳Skorko, 1933; Mulliken, 1971
C 3Σ1u+ 13 16          C ← X 
↳Kortum and Friedheim, 1947; Mathieson and Rees, 1956; Mulliken, 1971
B" 1Π1u 19 17          B" ↔ X 18 
↳Oldman, Sander, et al., 1971; Tellinghuisen, 1973; Brown and Burns, 1974
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
B' 3Π0-u 19 20           
B 3Π0+u 19 15769.01 125.697 Z 0.7642 21 22  0.029039 23 24 0.0001582 25 22  5.43E-9 26 0.30E-9 3.0247 B ↔ X 18 27 28 R 15724.57 29 Z
↳Barrow and Yee, 1973; missing citation; Wei and Tellinghuisen, 1974
A 3Π1u 19 (11888) (44.0) 30 H (1.0)  30      A ← X 31 R (11803) 30
↳Brown, 1931; Tellinghuisen, 1973
A' 3Π2u 19 (10100) 32           
X 1Σg+ 0 214.502 33 Z 0.6147 33  0.037372 33 34 0.0001138 33  4.25E-9 35 3.2E-10 2.6663 36  
↳Kiefer and Bernstein, 1972; Williams, Rousseau, et al., 1974

Notes

1From the photoelectron spectrum Potts and Price, 1971, Higginson, Lloyd, et al., 1973; adiabatic potential established by temperature variation. The same method yields 9.953 eV for the ionization potential to 2Π1/2g(v=0). Neither result agrees with the values obtained by Venkateswarlu, 1970 from Rydberg series, i.e. 9.400 and 10.03 eV. The discrepancy could be understood if the Rydberg series were to correspond to v'=3, but the absence of series with v' = 0, 1, 2 would still be puzzling.
2Weak emission bands in the presence of foreign gases, 2785-2731 . Te is based on the assumption that the lower state is the B state, but Mulliken, 1971, has suggested that instead it may be the D state leading to Te ~ 76872 cm-1 Mulliken, 1971.
3Strong emission bands in the presence of foreign gases, 3460 - 3015 Angstroms. It is by no means certain that the lower state has been correctly identified as the B state. Mulliken, 1971, suggests that the bands arise from the transition G → A'.
4From the intensity distribution and Franck-Condon principle Mulliken, 1971, Wieland, Tellinghuisen, et al., 1972.
5In emission in electric discharges in the presence of foreign gases, 2740 - 2490 . Also observed for 129 I2, confirming the vibrational numbering. Emission bands in the region 2240 - 1950 Angstroms are assigned by Haranath and Rao, 1958, to a separate system (called H → X), with v00 = 48072 and w ~ 79. It seems, however, possible that these bands belong to F → X.
6Configuration...σg2πu3πg3σu2.
7The analysis of this fairly extensive system [2400 - 2240 , called E → X by Haranath and Rao, 1958] is not yet supported by isotope studies, nor is it seen in absorption.
8Suggested upper state of high temperature absorption "continuum" shortward of 3263 (30640 cm-1)
9Configuration...σgπu4πg3σu2.
10Emission bands in the presence of foreign gases, 4400 - 4000 . Also observed for 129I2, confirming the vibrational numbering. The E → B fluorescence spectrum following two-photon absorption Rousseau and Williams, 1974, consists of transitions both to the discrete and to the continuous part of B, the latter giving rise to diffuse bands ("structured" continuum) Tellinghuisen, 1975. From a comparison of the calculated with the observed intensity distribution Tellinghuisen, 1975, obtains the potential function of E as well as the variation of the transition moment with r. The lifetime of E → B is 27 ns Rousseau, 1975 confirming that this is an allowed transition and that the E state is 3Π0+g.
11The v' numbering is uncertain and, therefore, the vibrational constants are subject to change.
12The system includes the absorption bands of Pringsheim and Rosen, 1928, Kimura and Miyanishi, 1929, Cordes, 1935, remeasured by Nobs and Wieland, 1966. It also includes the resonance series of Verma, 1960 in the region 1830 - 2370 which arise from very high vibrational levels (v' ~ 195), of the D state excited by the 1830 atomic line of iodine. The system further includes the diffuse emission bands in the region 2500 - 5000 with a characteristic group near 3250 [McLennan bands McLennan, 1913]. The diffuse bands have been recognized by Mulliken, 1971, to correspond to transitions from D to the continuum of X [Condon diffraction bands, see also Tellinghuisen, 1974]. Earlier summaries Mathieson and Rees, 1956, Haranath and Rao, 1958, Venkateswarlu, 1970 gave an electronic state at Te = 51427.9 with ωe = 169.41, ωexe = 0.941, ωeye = +0.0022 which was to represent the Cordes absorption bands from 1950 to 1795 Cordes, 1935. Following Mulliken, 1971, Mulliken, 1971, we consider these bands as part of D ← X.
13Configuration . . . σgπu4πg4σu.
14Suggested upper state of high temperature absorption "continuum" shortward of 3427 (29170 cm-1)
15The G →A' transition has been observed to lase strongly when mixtures of HI or CF3I or CH3I with argon (1000 - 4000 torr), are excited by a pulsed high current electron beam Hays, Hoffman, et al., 1976. See also H → B footnote 3.
16Repulsive state from 2P3/2 + 2P1/2 responsible for a weak but broad absorption continuum with maximum at 2700 (37000 cm-1). 38
17Repulsive state from 2P3/2 + 2P3/2, responsible for absorption continuum with maximum at 20050 cm-1 and for the predissociation of B 3Π0+u.
18f values based on magnetic circular dichroism spectra have been estimated as 0.0018 (B"←X) and 0.009 (B ←X) and have been compared with earlier results Brith, Rowe, et al., 1975. For a comparison of theoretical and observed intensities in the B → X resonance series see Zare, 1964.
19Configuration . . . σg2πu4πg3σu.
20Repulsive state from 2P3/2 + 2P3/2. The previous assignment of B' as the state responsible for the magnetic field induced predissociation of B is now in doubt; See 23.
21-0.00178(v +1/2)3 - 0.0000738(v+1/2)4 + 0.00000103(v+1/2)5, from levels with 4≤v≤50 Barrow and Yee, 1973.
22Somewhat different constants, valid for 4≤v≤77, are given by Wei and Tellinghuisen, 1974, Te = 15768.32, ωe = 126.165, ωexe = 0.8673, ..., Be = 0.028939, αe = 0.0001204, ... (using calculated Dv values); see also Brown, Burns, et al., 1973, Tellinghuisen, 1976. RKR potential curve Barrow and Yee, 1973. For a discussion of the long-range potential and ΔG, Bv values near the dissociation limit see LeRoy and Bernstein, 1971, LeRoy, 1972, Barrow and Yee, 1973, Le Roy, 1973, Yee, 1973, LeRoy, 1974.
23Collision induced predissociation of the B state missing citation; magnetic field induced predissociation Degenkolb, Steinfeld, et al., 1969, Capelle and Broida, 1972, Chapman and Bunker, 1972; spontaneous predissociation Tellinghuisen, 1972; hyperfine predissociation Broyer, Vigue, et al., 1976. The purely radiative lifetime Brewer and Tellinghuisen, 1972, Tellinghuisen, 1972, Broyer, Vigue, et al., 1976, increases smoothly from τ= 0.91 μs at v=7 to approximately τ= 10 μs at the highest observed levels. The measured lifetimes Brewer and Tellinghuisen, 1972, missing citation, Capelle and Broida, 1973, Keller, Broyer, et al., 1973, Paisner and Wallenstein, 1974, Broyer, Vigue, et al., 1975 are considerably reduced by spontaneous predissociation due to rotational and hyperfine mixing with B" 1Π1u, the latter leading to differences in lifetime between ortho and para levels Broyer, Vigue, et al., 1976. Only near v=12 and above v~50 are the actual lifetimes close to the purely radiative ones. The magnetic field-induced predissociation of B 3Π0+u was previously assumed to be caused by B' 3Π0-u, and a potential function for this latter state was derived from magnetic quenching data Chapman and Bunker, 1972, Child, 1973. The recent observation, however, of a quantum interference effect between magnetic and spontaneous predissociations Broyer, Vigue, et al., 1973, Vigue, Broyer, et al., 1974, Vigue, Broyer, et al., 1975 has established that the magnetic predissociation, too, is produced by the B" 1Π1u state.
24gJ varies from -0.059 at low v to -5.45 μN near the dissociation limit; from Hanle effect observations Broyer and Lehmann, 1972, Broyer, Lehmann, et al., 1975, Gouedard, Broyer, et al., 1976, Gouedard, Broyer, et al., 1976, 2. See also Wallenstein, Paisner, et al., 1974.
25-3.36E-7(v+1/2)2 - 4.78E-8(v+1/2)3 + 3.26E-10(v+1/2)4, from levels with 4≤v≤77 Barrow and Yee, 1973.
26For v ≤ 10 Barrow and Yee, 1973. Dv increases rapidly above v=20; for more details see Brown, Burns, et al., 1973, Wei and Tellinghuisen, 1974.
27The continuum joining onto the discrete bands is overlapped by the B"← X continuum. A resolution of these two continua and the A ←X continuum was given by Tellinghuisen, 1973,. See also Tellinghuisen, 1973, 2.
28The hyperfine structure of several lines has been observed by various high resolution laser techiques; electric quadrupole, magnetic octupole, and other magnetic hfs constants have been evaluated Hanes and Dahlstrom, 1969, Kroll, 1969, Hansch, Levenson, et al., 1971, Hanes, Lapierre, et al., 1971, Sorem, Levenson, et al., 1971, Levenson and Schawlow, 1972, Sorem, Hansch, et al., 1972, Youmans, Hackel, et al., 1973, Ruben, Kukolich, et al., 1973, Bunker and Hanes, 1974, missing citation; similar analyses for 129I2 and 127,129I2 Tesic and Pao, 1975.
29Extrapolated from data with v' ≥ 4. The vibrational numbering, changed Steinfeld, Zare, et al., 1965, by 1 from the previous table in MOLSPEC 1, has been confirmed by isotope studies Brown and James, 1965.
30 Tellinghuisen, 1973, suggests that the v'=4 numbering of Brown, 1931, may have to be raised substantially. Preliminary results of a rotational analysis Ashby, 1975, of nine bands in the A ←X, v"=5 progression and of three bands in the v"=4 progression indicate that w' ~ 57.5 Ashby, 1975, w'x' ~ 1.85 Ashby, 1975, B'(for the lowest analyzed level) = 0.02375 Ashby, 1975, α' ~ 0.0005 Ashby, 1975.
31The continuum joining onto the discrete bands has been studied by many investigators, most recently by Tellinghuisen, 1973, who derives an f value of f= 0.00062 Tellinghuisen, 1973; see also Brith, Rowe, et al., 1975.
32Suggested as lower state of high temperature absorption bands near 3427 Mulliken, 1971 Mulliken, 1971.
33These constants Barrow and Yee, 1973, represent the levels v=0-5; Wei and Tellinghuisen, 1974, for v=0-6, give ωe = 214.582, ωexe = 0.6243, Be = 0.037363, αe = 0.0001145 using calculated Dv values. On the basis of the resonance series of Rank and Baldwin, 1951, Rank and Rao, 1964 and Verma, 1960, LeRoy, 1970 has given polynomial formulae for G(v), Bv, and Dv valid up to v = 82; ωe = 214.548, ωexe = 0.6163 , ...Be = 0.037395, αe = 0.0001244, ... ,De = 4.54E-9, βe = 0.017E-9;... The most accurate constants for v = 0 were derived Gerstenkorn, Luc, et al., 1977 from the analysis by means of Fourier transform spectroscopy of the B←X, 30-0 bands: B0 = 0.0373115, D0 = 4.55E-9, H0 = -0.76E-15. The vibrational levels of the ground state have been observed up to v = 84 [D → X resonance series Verma, 1960], i.e. to within 400 cm-1 of the dissociation limit. The levels v" = 98...115 originally reported by Verma, 1960, were found to be due to an NO impurity Verma and LeRoy, 1974. As a consequence the RKR potential function of Verma, 1960, must be corrected at high v. The RKR curves of Zare, 1964 and LeRoy, 1970 extend only to v = 82 and are unaffected by this correction. 35 see 33.
34gJ(v=0, J=12,14)=9.l3E-4 μN Solarz and Levy, 1972 from non-linear level crossing.
35missing note
36Raman sp. 39
37From the convergence of the vibrational levels in the B 3Π0+u state Barrow, Broyd, et al., 1973, Barrow and Yee, 1973.
38Nature of the upper state (1u) and of the dissociation products confirmed by photofragment spectroscopy Clear and Wilson, 1973.
39High resolution resonance Raman spectra of I2 vapor up to the eleventh overtone (12-0). Raman spectra in rare gas matrices Howard and Andrews, 1974.

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Constants of diatomic molecules, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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Notes

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