Sulfuric Acid
- Formula: H2O4S
- Molecular weight: 98.078
- IUPAC Standard InChIKey: QAOWNCQODCNURD-UHFFFAOYSA-N
- CAS Registry Number: 7664-93-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: H2SO4; Dipping acid; Hydrogen sulfate; Oil of vitriol; Sulphuric acid; Acide sulfurique; Acido solforico; BOV; Matting acid; Nordhausen acid; Schwefelsaeureloesungen; Vitriol brown oil; Vitriol, oil of; Zwavelzuuroplossingen; O2S(OH)2; Battery acid; Electrolyte acid; Spirit of alum; Spirit of vitriol; Dihydrogen sulfate; Mattling acid; UN 1830 (Salt/Mix); UN 1832 (Salt/Mix); UN 2796 (Salt/Mix)
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), NIST Free Links, 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°gas | -735.13 | kJ/mol | Review | Chase, 1998 | Data last reviewed in September, 1977 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 298.78 | J/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1977 |
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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1200. | 1200. to 6000. |
---|---|---|
A | 47.28924 | 139.2289 |
B | 190.3314 | 9.513663 |
C | -148.1299 | -1.795577 |
D | 43.86631 | 0.118069 |
E | -0.740016 | -15.61486 |
F | -758.9525 | -813.0976 |
G | 301.2961 | 416.1854 |
H | -735.1288 | -735.1288 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in September, 1977 | Data last reviewed in September, 1977 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), NIST Free Links, 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
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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.
Individual Reactions
HO4S- + =
By formula: HO4S- + H+ = H2O4S
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1295. ± 23. | kJ/mol | D-EA | Wang, Nicholas, et al., 2000 | gas phase; Lit BDE seems too weak. This plus Viggiano, Henchman, et al., 1992 gives BDE=106; B |
ΔrH° | 1295. ± 11. | kJ/mol | G+TS | Viggiano, Henchman, et al., 1992 | gas phase; B |
ΔrH° | 1325.5 | kJ/mol | Latt | House Jr. and Kemper, 1987 | gas phase; From lattice energy of NH4HSO4, with new PA(NH3); B |
ΔrH° | <1319.6 | kJ/mol | G+TS | Vigiano, Perry, et al., 1980 | gas phase; I- + H2SO4 ->.; B |
ΔrH° | <1312. ± 8.4 | kJ/mol | EIAE | Adams, Smith, et al., 1986 | gas phase; From H2SO4 (AP 0eV); B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1265. ± 23. | kJ/mol | H-TS | Wang, Nicholas, et al., 2000 | gas phase; Lit BDE seems too weak. This plus Viggiano, Henchman, et al., 1992 gives BDE=106; B |
ΔrG° | 1265. ± 10. | kJ/mol | IMRB | Viggiano, Henchman, et al., 1992 | gas phase; B |
ΔrG° | <1288.7 | kJ/mol | IMRB | Vigiano, Perry, et al., 1980 | gas phase; I- + H2SO4 ->.; B |
ΔrG° | <1281. ± 9.6 | kJ/mol | H-TS | Adams, Smith, et al., 1986 | gas phase; From H2SO4 (AP 0eV); B |
C2H5NaO (cr) + 0.5( • 1100) (solution) = (solution) + 0.5 (solution)
By formula: C2H5NaO (cr) + 0.5(H2O4S • 1100H2O) (solution) = C2H6O (solution) + 0.5Na2O4S (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -118.4 ± 3.8 | kJ/mol | RSC | Blanchard, Joly, et al., 1974 | solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -10.6 kJ/mol for the enthalpy of solution of EtOH(l) and on 9.97±0.04 for the enthalpy of solution of Na2SO4(cr) Blanchard, Joly, et al., 1974. A value of -490.8 ± 5.9 kJ/mol was derived in Blanchard, Joly, et al., 1974 for the enthalpy of formation. However, this value is affected by a calculation error. Also, the authors have not accounted for the acid dilution (this correction could not be made in the present database, due to lack of information). These problems were also noted in the data compilations Tel'noi and Rabinovich, 1980 and Wagman, Evans W.H., et al., 1982, where the values quoted for the enthalpy of formation, which rely on the experimental data reported in Blanchard, Joly, et al., 1974, are -410.0 ± 4.2 kJ/mol and -413.8 kJ/mol, respectively. See also comments in Liebman, Martinho Simões, et al., 1995; MS |
(HO4S- • 2) + HO3S = (HO4S- • HO3S • 2)
By formula: (HO4S- • 2H2O4S) + HO3S = (HO4S- • HO3S • 2H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 87.9 | kJ/mol | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
ΔrH° | 75. | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
61.9 | 250. | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
50. | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M |
By formula: (HO4S- • 2H2O4S) + H2O4S = (HO4S- • 3H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 87.0 | kJ/mol | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
ΔrH° | 82.8 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
61.1 | 250. | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
59. | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
(HO4S- • • 3) + = (HO4S- • 2 • 3)
By formula: (HO4S- • H2O • 3H2O4S) + H2O = (HO4S- • 2H2O • 3H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 54.4 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
30. | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
(H2O4S- • ) + HO3S = (H2O4S- • HO3S • )
By formula: (H2O4S- • H2O4S) + HO3S = (H2O4S- • HO3S • H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 92.5 | kJ/mol | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
66.5 | 250. | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: (HO4S- • 2H2O4S) + HNO3 = (HO4S- • HNO3 • 2H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.5 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
43.1 | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (HO4S- • 3H2O4S) + HNO3 = (HO4S- • HNO3 • 3H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 70.7 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
46.4 | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (HO4S- • 2H2O4S) + H2O = (HO4S- • H2O • 2H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.6 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
26. | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (HO4S- • 3H2O4S) + H2O = (HO4S- • H2O • 3H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 57.7 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
33. | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (HO4S- • 4H2O4S) + H2O = (HO4S- • H2O • 4H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 58.2 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
34. | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (HO4S- • H2O4S) + H2O4S = (HO4S- • 2H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 92.0 | kJ/mol | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
66.1 | 250. | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: (HO4S- • 3H2O4S) + H2O4S = (HO4S- • 4H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 77.4 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
54. | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (HO4S- • 4H2O4S) + H2O4S = (HO4S- • 5H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 79.1 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
54. | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
C2H5LiO (cr) + 0.5( • 1100) (solution) = 0.5Li2O4S (solution) + (solution)
By formula: C2H5LiO (cr) + 0.5(H2O4S • 1100H2O) (solution) = 0.5Li2O4S (solution) + C2H6O (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -113.6 ± 1.3 | kJ/mol | RSC | Blanchard, Joly, et al., 1974 | solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -10.6 kJ/mol for the enthalpy of solution of EtOH(l) and on -17.5±0.3 for the enthalpy of solution of Li2SO4(cr) Blanchard, Joly, et al., 1974.; MS |
C2H5KO (cr) + 0.5( • 1100) (solution) = (solution) + 0.5K2O4S (solution)
By formula: C2H5KO (cr) + 0.5(H2O4S • 1100H2O) (solution) = C2H6O (solution) + 0.5K2O4S (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -132.3 ± 2.9 | kJ/mol | RSC | Blanchard, Joly, et al., 1974 | solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -10.6 kJ/mol for the enthalpy of solution of EtOH(l) and on 35.1±0.1 for the enthalpy of solution of K2SO4(cr) Blanchard, Joly, et al., 1974.; MS |
(l) + ( • 100) (solution) = 2 (g) + ( • 100) (solution)
By formula: C2H6Zn (l) + (H2O4S • 100H2O) (solution) = 2CH4 (g) + (O4SZn • 100H2O) (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -341.8 ± 0.8 | kJ/mol | RSC | Carson, Hartley, et al., 1949 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970.; MS |
(l) + ( • 100) (solution) = 2 (g) + ( • 100) (solution)
By formula: C4H10Zn (l) + (H2O4S • 100H2O) (solution) = 2C2H6 (g) + (O4SZn • 100H2O) (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -354.4 ± 4.2 | kJ/mol | RSC | Carson, Hartley, et al., 1949 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970.; MS |
+ = C12H26O3S +
By formula: C12H26 + H2O4S = C12H26O3S + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 290. ± 17. | kJ/mol | Cm | Roth and Rist-Schumacher, 1944 | liquid phase; ALS |
By formula: C3H6 + H2O4S = isopropyl hydrogen sulphate
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -38. ± 0.8 | kJ/mol | Eqk | Entelis, Korovina, et al., 1960 | liquid phase; ALS |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), NIST Free Links, 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: 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 |
---|---|---|---|---|
1.×10+11 | M | N/A | Value derived from partial pressure of H2SO4 over a concentrated solution. This can only be considered an order-of-magnitude approximation. The solubility at lower aqueous-phase concentrations should be larger. | |
5.×10+14 | M | N/A | Value derived from partial pressure of H2SO4 over a concentrated solution. This can only be considered an order-of-magnitude approximation. The solubility at lower aqueous-phase concentrations should be larger. |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, Mass spectrum (electron ionization), NIST Free Links, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 699.4 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 666.9 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°(+) ion | 500. ± 20. | kJ/mol | N/A | N/A |
Gas basicity at 298K
Gas basicity (review) (kJ/mol) | Reference | Comment |
---|---|---|
683. ± 5. | Do, Klein, et al., 1998 | T = T(eff) = 800 - 1250K; H2S; H2CO. ΔGB values from kinetic bracketing were extrapolated to 298 K. ΔSp from ab initio rot. and vib. constants; MM |
≥680. | Do, Klein, et al., 1998 | MM |
Protonation entropy at 298K
Protonation entropy (J/mol*K) | Reference | Comment |
---|---|---|
4.9 | Do, Klein, et al., 1998 | T = T(eff) = 800 - 1250K; H2S; H2CO. ΔGB values from kinetic bracketing were extrapolated to 298 K. ΔSp from ab initio rot. and vib. constants; MM |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
12.40 ± 0.05 | EI | Snow and Thomas, 1990 | LL |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
HSO3+ | 13.9 ± 0.1 | HO | EI | Snow and Thomas, 1990 | LL |
H2O+ | 13.2 ± 0.2 | SO3 | EI | Snow and Thomas, 1990 | LL |
SO2+ | 15.97 ± 0.15 | H2O2 | EI | Snow and Thomas, 1990 | LL |
SO3+ | 13.8 ± 0.2 | H2O | EI | Snow and Thomas, 1990 | LL |
De-protonation reactions
HO4S- + =
By formula: HO4S- + H+ = H2O4S
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1295. ± 23. | kJ/mol | D-EA | Wang, Nicholas, et al., 2000 | gas phase; Lit BDE seems too weak. This plus Viggiano, Henchman, et al., 1992 gives BDE=106; B |
ΔrH° | 1295. ± 11. | kJ/mol | G+TS | Viggiano, Henchman, et al., 1992 | gas phase; B |
ΔrH° | 1325.5 | kJ/mol | Latt | House Jr. and Kemper, 1987 | gas phase; From lattice energy of NH4HSO4, with new PA(NH3); B |
ΔrH° | <1319.6 | kJ/mol | G+TS | Vigiano, Perry, et al., 1980 | gas phase; I- + H2SO4 ->.; B |
ΔrH° | <1312. ± 8.4 | kJ/mol | EIAE | Adams, Smith, et al., 1986 | gas phase; From H2SO4 (AP 0eV); B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1265. ± 23. | kJ/mol | H-TS | Wang, Nicholas, et al., 2000 | gas phase; Lit BDE seems too weak. This plus Viggiano, Henchman, et al., 1992 gives BDE=106; B |
ΔrG° | 1265. ± 10. | kJ/mol | IMRB | Viggiano, Henchman, et al., 1992 | gas phase; B |
ΔrG° | <1288.7 | kJ/mol | IMRB | Vigiano, Perry, et al., 1980 | gas phase; I- + H2SO4 ->.; B |
ΔrG° | <1281. ± 9.6 | kJ/mol | H-TS | Adams, Smith, et al., 1986 | gas phase; From H2SO4 (AP 0eV); B |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), NIST Free Links, 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: 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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: (HO4S- • H2O4S) + H2O4S = (HO4S- • 2H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 92.0 | kJ/mol | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
66.1 | 250. | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated |
By formula: (HO4S- • 2H2O4S) + H2O4S = (HO4S- • 3H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 87.0 | kJ/mol | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated |
ΔrH° | 82.8 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated |
ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
61.1 | 250. | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated |
59. | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated |
By formula: (HO4S- • 3H2O4S) + H2O4S = (HO4S- • 4H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 77.4 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
54. | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated |
By formula: (HO4S- • 4H2O4S) + H2O4S = (HO4S- • 5H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 79.1 | kJ/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
54. | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated |
Mass spectrum (electron ionization)
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
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Origin | Chemical Concepts |
NIST MS number | 152491 |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), NIST Free Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
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Upper Stratosphere Negative Ion Composition Measurements and Infrared Trace Gas Abundances,
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Implications for Trace Gases and Aerosols of Large Negative Ions Clusters in the Stratosphere,
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Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), NIST Free Links, References
- Symbols used in this document:
AE Appearance energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) T Temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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