Hydrogen cation
- Formula: H+
- Molecular weight: 1.00739
- IUPAC Standard InChIKey: GPRLSGONYQIRFK-UHFFFAOYSA-N
- CAS Registry Number: 12408-02-5
- Chemical structure:
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- Gas phase thermochemistry data
- Reaction thermochemistry data: reactions 1 to 50, reactions 101 to 150, reactions 151 to 200, reactions 201 to 250, reactions 251 to 300, reactions 301 to 350, reactions 351 to 400, reactions 401 to 450, reactions 451 to 500, reactions 501 to 550, reactions 551 to 600, reactions 601 to 650, reactions 651 to 700, reactions 701 to 750, reactions 751 to 800, reactions 801 to 850, reactions 851 to 900, reactions 901 to 950, reactions 951 to 1000, reactions 1001 to 1050, reactions 1051 to 1100, reactions 1101 to 1150, reactions 1151 to 1200, reactions 1201 to 1250, reactions 1251 to 1300, reactions 1301 to 1350, reactions 1351 to 1375
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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: John E. Bartmess
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 51 to 100
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1357.7 ± 0.84 | kJ/mol | TDEq | Davidson, Fehsenfeld, et al., 1977 | gas phase; Relative to HBr, reevaluated with current HBr acidity. Excited state at 3.0 eV,81WU /TIE. |
ΔrH° | 1380. ± 20. | kJ/mol | NBAE | Mathur, Rothe, et al., 1976 | gas phase; From HNO3 |
ΔrH° | 1377. ± 24. | kJ/mol | Endo | Refaey and Franklin, 1976 | gas phase; I- + HNO3 ->. |
ΔrH° | 1357.7 ± 2.1 | kJ/mol | TDEq | Ferguson, Dunkin, et al., 1972 | gas phase |
ΔrH° | 1490.8 | kJ/mol | Endo | Berkowitz, Chupka, et al., 1971 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1329.7 ± 0.84 | kJ/mol | TDEq | Davidson, Fehsenfeld, et al., 1977 | gas phase; Relative to HBr, reevaluated with current HBr acidity. Excited state at 3.0 eV,81WU /TIE. |
C3H7O- + =
By formula: C3H7O- + H+ = C3H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1572. ± 5.4 | kJ/mol | D-EA | Ellison, Engleking, et al., 1982 | gas phase |
ΔrH° | 1573. ± 8.8 | kJ/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
ΔrH° | 1574. ± 8.4 | kJ/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1545. ± 5.9 | kJ/mol | H-TS | Ellison, Engleking, et al., 1982 | gas phase |
ΔrG° | 1546. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
ΔrG° | 1546. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
C6H13O- + =
By formula: C6H13O- + H+ = C6H14O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1554. ± 8.8 | kJ/mol | G+TS | Higgins and Bartmess, 1998 | gas phase |
ΔrH° | 1555. ± 8.4 | kJ/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
ΔrH° | 1554. ± 12. | kJ/mol | G+TS | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1526. ± 8.4 | kJ/mol | IMRE | Higgins and Bartmess, 1998 | gas phase |
ΔrG° | 1527. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
ΔrG° | 1527. ± 11. | kJ/mol | CIDC | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale |
C6H13O- + =
By formula: C6H13O- + H+ = C6H14O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1555. ± 8.8 | kJ/mol | G+TS | Higgins and Bartmess, 1998 | gas phase |
ΔrH° | 1561. ± 8.4 | kJ/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
ΔrH° | 1559. ± 12. | kJ/mol | G+TS | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1527. ± 8.4 | kJ/mol | IMRE | Higgins and Bartmess, 1998 | gas phase |
ΔrG° | 1533. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
ΔrG° | 1531. ± 11. | kJ/mol | CIDC | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale |
C5H11O- + =
By formula: C5H11O- + H+ = C5H12O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1565. ± 8.8 | kJ/mol | G+TS | Higgins and Bartmess, 1998 | gas phase |
ΔrH° | 1568. ± 8.4 | kJ/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
ΔrH° | 1564. ± 12. | kJ/mol | G+TS | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1538. ± 8.4 | kJ/mol | IMRE | Higgins and Bartmess, 1998 | gas phase |
ΔrG° | 1541. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
ΔrG° | 1537. ± 11. | kJ/mol | CIDC | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale |
C5H11O- + =
By formula: C5H11O- + H+ = C5H12O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1559. ± 8.8 | kJ/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
ΔrH° | 1561. ± 9.6 | kJ/mol | D-EA | Janousek, Zimmerman, et al., 1978 | gas phase |
ΔrH° | 1559. ± 8.4 | kJ/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1531. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
ΔrG° | 1533. ± 10. | kJ/mol | H-TS | Janousek, Zimmerman, et al., 1978 | gas phase |
ΔrG° | 1532. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
C10H7- + =
By formula: C10H7- + H+ = C10H8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1649. ± 5.0 | kJ/mol | Bran | Reed and Kass, 2000 | gas phase |
ΔrH° | 1649. ± 5.0 | kJ/mol | TDEq | Meot-ner, Liebman, et al., 1988 | gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho. |
ΔrH° | 1648. ± 21. | kJ/mol | CIDC | Lardin, Squires, et al., 2001 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1613. ± 5.4 | kJ/mol | H-TS | Reed and Kass, 2000 | gas phase |
ΔrG° | 1606. ± 5.0 | kJ/mol | TDEq | Meot-ner, Liebman, et al., 1988 | gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho. |
ΔrG° | 1613. ± 21. | kJ/mol | H-TS | Lardin, Squires, et al., 2001 | gas phase |
C6H4Cl- + =
By formula: C6H4Cl- + H+ = C6H5Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1636. ± 7.9 | kJ/mol | Bran | Wenthold and Squires, 1995 | gas phase |
ΔrH° | 1633. ± 8.8 | kJ/mol | G+TS | Wenthold and Squires, 1994 | gas phase; between furan, pyridine |
ΔrH° | 1633. ± 8.8 | kJ/mol | G+TS | Wenthold, Paulino, et al., 1991 | gas phase; Between H2O, furan. Wenthold and Squires, 1994 indicates isomerization occuring. |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1602. ± 8.4 | kJ/mol | H-TS | Wenthold and Squires, 1995 | gas phase |
ΔrG° | 1598. ± 8.4 | kJ/mol | IMRB | Wenthold and Squires, 1994 | gas phase; between furan, pyridine |
ΔrG° | 1598. ± 8.4 | kJ/mol | IMRB | Wenthold, Paulino, et al., 1991 | gas phase; Between H2O, furan. Wenthold and Squires, 1994 indicates isomerization occuring. |
C6H4Cl- + =
By formula: C6H4Cl- + H+ = C6H5Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1650. ± 5.4 | kJ/mol | Bran | Wenthold and Squires, 1995 | gas phase |
ΔrH° | 1631. ± 8.8 | kJ/mol | G+TS | Wenthold and Squires, 1994 | gas phase; between furan, pyridine |
ΔrH° | 1631. ± 8.8 | kJ/mol | G+TS | Wenthold, Paulino, et al., 1991 | gas phase; Between H2O, furan. Wenthold and Squires, 1994 indicates isomerization occuring. |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1618. ± 5.9 | kJ/mol | H-TS | Wenthold and Squires, 1995 | gas phase |
ΔrG° | 1598. ± 8.4 | kJ/mol | IMRB | Wenthold and Squires, 1994 | gas phase; between furan, pyridine |
ΔrG° | 1598. ± 8.4 | kJ/mol | IMRB | Wenthold, Paulino, et al., 1991 | gas phase; Between H2O, furan. Wenthold and Squires, 1994 indicates isomerization occuring. |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1439. ± 18. | kJ/mol | G+TS | Miller, Miller, et al., 1993 | gas phase; Acidity stronger than EtCO2H, comparable to HCO2H. |
ΔrH° | 1454. ± 7.9 | kJ/mol | D-EA | Leopold and Lineberger, 1986 | gas phase |
ΔrH° | 1413. ± 13. | kJ/mol | G+TS | Sallans, Lane, et al., 1985 | gas phase |
ΔrH° | >1445. ± 21. | kJ/mol | D-EA | Compton and Stockdale, 1976 | gas phase; From Fe(CO)5 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1415. ± 17. | kJ/mol | IMRB | Miller, Miller, et al., 1993 | gas phase; Acidity stronger than EtCO2H, comparable to HCO2H. |
ΔrG° | 1431. ± 8.4 | kJ/mol | H-TS | Leopold and Lineberger, 1986 | gas phase |
ΔrG° | 1389. ± 13. | kJ/mol | IMRB | Sallans, Lane, et al., 1985 | gas phase |
CH3- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1743.6 ± 2.9 | kJ/mol | D-EA | Ellison, Engelking, et al., 1978 | gas phase |
ΔrH° | 1749. ± 15. | kJ/mol | CIDT | Graul and Squires, 1990 | gas phase |
ΔrH° | >1691.1 ± 0.42 | kJ/mol | G+TS | Bohme, Lee-Ruff, et al., 1972 | gas phase |
ΔrH° | 1735.5 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeBr3; ; ΔS(EA)=9.3 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1709.8 ± 3.3 | kJ/mol | H-TS | Ellison, Engelking, et al., 1978 | gas phase |
ΔrG° | 1715. ± 15. | kJ/mol | H-TS | Graul and Squires, 1990 | gas phase |
ΔrG° | >1657.3 | kJ/mol | IMRB | Bohme, Lee-Ruff, et al., 1972 | gas phase |
ΔrG° | 1704.1 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeBr3; ; ΔS(EA)=9.3 |
C3H8P- + =
By formula: C3H8P- + H+ = C3H9P
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1636. ± 8.8 | kJ/mol | G+TS | Ingemann and Nibbering, 1985 | gas phase |
ΔrH° | 1612. ± 17. | kJ/mol | G+TS | Romer, Gatev, et al., 1998 | gas phase; The conflict with Ingemann and Nibbering, 1985, 22 is not resolved |
ΔrH° | 1607. ± 13. | kJ/mol | G+TS | Grabowski, Roy, et al., 1988 | gas phase; Between O-. and MeO-, nearer the latter. |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1606. ± 8.4 | kJ/mol | IMRE | Ingemann and Nibbering, 1985 | gas phase |
ΔrG° | 1582. ± 17. | kJ/mol | IMRB | Romer, Gatev, et al., 1998 | gas phase; The conflict with Ingemann and Nibbering, 1985, 22 is not resolved |
ΔrG° | 1577. ± 13. | kJ/mol | IMRB | Grabowski, Roy, et al., 1988 | gas phase; Between O-. and MeO-, nearer the latter. |
CHN2- + =
By formula: CHN2- + H+ = CH2N2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1554. ± 9.2 | kJ/mol | G+TS | Clifford, Wenthold, et al., 1998 | gas phase; Lit values of DfH(H2CNN) range from 71 (78BEN) to 51 ( Laufer and Okabe, 1972). Here we use the computational ( Dixon, de Jong, et al., 2005) agreeing with G3MP2B3 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1523. ± 8.4 | kJ/mol | IMRE | Clifford, Wenthold, et al., 1998 | gas phase; Lit values of DfH(H2CNN) range from 71 (78BEN) to 51 ( Laufer and Okabe, 1972). Here we use the computational ( Dixon, de Jong, et al., 2005) agreeing with G3MP2B3 |
ΔrG° | 1527. ± 17. | kJ/mol | IMRB | DePuy, Van Doren, et al., 1989 | gas phase; Near HF, between H2O2 & acetone. G2 calculations( Gordon and Kass, 1997) give ΔHf(CH2N2)=63.1 kcal/mol |
CH2Cl- + =
By formula: CH2Cl- + H+ = CH3Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1672. ± 10. | kJ/mol | Endo | Hierl, Henchman, et al., 1992 | gas phase; HO- + ClCH3: 8.8±2.3 kcal/mol endo |
ΔrH° | 1657. ± 13. | kJ/mol | G+TS | Ingemann and Nibbering, 1985 | gas phase |
ΔrH° | 1659. ± 19. | kJ/mol | EIAE | Rogers, Simpson, et al., 2010 | gas phase |
ΔrH° | 1674. ± 8.4 | kJ/mol | IMRB | Poutsma, Nash, et al., 1997 | gas phase |
ΔrH° | 1670. ± 17. | kJ/mol | G+TS | Henchman, Hierl, et al., 1985 | gas phase; HO- + MeCl: 0.38±0.1 eV endo |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1628. ± 13. | kJ/mol | IMRE | Ingemann and Nibbering, 1985 | gas phase |
ΔrG° | 1641. ± 17. | kJ/mol | IMRB | Henchman, Hierl, et al., 1985 | gas phase; HO- + MeCl: 0.38±0.1 eV endo |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1675.3 | kJ/mol | N/A | Shiell, Hu, et al., 2000 | gas phase; Given: 139714.8±1 cm-1 at 0K, or 399.465±0.003 kcal/mol |
ΔrH° | 1675.3 | kJ/mol | N/A | Pratt, McCormack, et al., 1992 | gas phase; 399.46±0.01 kcal/mol at 0K; 0.94 correction, Gurvich, Veyts, et al. |
ΔrH° | 1675.3 | kJ/mol | D-EA | Lykke, Murray, et al., 1991 | gas phase; Reported: 6082.99±0.15 cm-1, or 0.754195(18) eV |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1649.3 ± 0.42 | kJ/mol | H-TS | Shiell, Hu, et al., 2000 | gas phase; Given: 139714.8±1 cm-1 at 0K, or 399.465±0.003 kcal/mol |
ΔrG° | 1649.3 | kJ/mol | H-TS | Lykke, Murray, et al., 1991 | gas phase; Reported: 6082.99±0.15 cm-1, or 0.754195(18) eV |
C5H4N- + =
By formula: C5H4N- + H+ = C5H5N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1631. ± 8.4 | kJ/mol | IMRE | Schafman and Wenthold, 2007 | gas phase |
ΔrH° | 1636. ± 10. | kJ/mol | TDEq | Meot-ner and Kafafi, 1988 | gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho. |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1601. ± 8.4 | kJ/mol | TDEq | Meot-ner and Kafafi, 1988 | gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho. |
ΔrG° | 1607. ± 13. | kJ/mol | IMRB | DePuy, Kass, et al., 1988 | gas phase; Comparable to water in acidity |
ΔrG° | <1574. ± 8.4 | kJ/mol | IMRB | Bruins, Ferrer-Correia, et al., 1978 | gas phase; O- deprotonates |
By formula: CF3O3S- + H+ = CHF3O3S
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1278. ± 9.2 | kJ/mol | G+TS | Koppel, Taft, et al., 1994 | gas phase; Per Leito, Raamat, et al., 2009, dGacid is likely too weak by at least 1.3 kcal/mol, and possibly 5.3, due to problems in the ladder at dGacid=299 |
ΔrH° | <1312. ± 8.4 | kJ/mol | EIAE | Adams, Smith, et al., 1986 | gas phase; From CF3SO3H,anhydride |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1253. ± 8.4 | kJ/mol | IMRE | Koppel, Taft, et al., 1994 | gas phase; Per Leito, Raamat, et al., 2009, dGacid is likely too weak by at least 1.3 kcal/mol, and possibly 5.3, due to problems in the ladder at dGacid=299 |
ΔrG° | 1250. ± 10. | kJ/mol | IMRB | Viggiano, Henchman, et al., 1992 | gas phase |
CCl3- + =
By formula: CCl3- + H+ = CHCl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1507.6 | kJ/mol | Acid | Paulino and Squires, 1991 | gas phase |
ΔrH° | 1496. ± 8.8 | kJ/mol | G+TS | Paulino and Squires, 1991 | gas phase |
ΔrH° | 1494. ± 26. | kJ/mol | G+TS | Bohme, Lee-Ruff, et al., 1972 | gas phase; > acetone, <= C5H6; value altered from reference due to change in acidity scale |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1464. ± 8.4 | kJ/mol | IMRB | Paulino and Squires, 1991 | gas phase |
ΔrG° | 1464. ± 13. | kJ/mol | IMRB | Born, Ingemann, et al., 2000 | gas phase |
ΔrG° | 1461. ± 25. | kJ/mol | IMRB | Bohme, Lee-Ruff, et al., 1972 | gas phase; > acetone, <= C5H6; value altered from reference due to change in acidity scale |
C2H2N3- + =
By formula: C2H2N3- + H+ = C2H3N3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1449. ± 8.8 | kJ/mol | G+TS | Catalan, Claramunt, et al., 1988 | gas phase; The authors state the acidity is for the 2H isomer, which is more stable(G3MP2B3)in the gas phase than the 1H isomer by 3 kcal/mol. However, only the 1H isomer is commercially available; thus, this may not be a clean equilibrium. |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1419. ± 8.4 | kJ/mol | IMRE | Catalan, Claramunt, et al., 1988 | gas phase; The authors state the acidity is for the 2H isomer, which is more stable(G3MP2B3)in the gas phase than the 1H isomer by 3 kcal/mol. However, only the 1H isomer is commercially available; thus, this may not be a clean equilibrium. |
CH3N2O- + =
By formula: CH3N2O- + H+ = CH4N2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1514. ± 12. | kJ/mol | CIDC | Ma, Wang, et al., 1998 | gas phase; H and S (20.5±1.8 eu) directly from kinetic method |
ΔrH° | 1517. ± 11. | kJ/mol | G+TS | Taft, 1987 | gas phase; value altered from reference due to change in acidity scale |
ΔrH° | 1495. ± 8.8 | kJ/mol | EIAE | Muftakhov, Vasil'ev, et al., 1999 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1488. ± 13. | kJ/mol | H-TS | Ma, Wang, et al., 1998 | gas phase; H and S (20.5±1.8 eu) directly from kinetic method |
ΔrG° | 1487. ± 10. | kJ/mol | IMRE | Taft, 1987 | gas phase; value altered from reference due to change in acidity scale |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1353.69 ± 0.21 | kJ/mol | D-EA | Blondel, Cacciani, et al., 1989 | gas phase; reported: 27129.170±0.015 cm-1 |
ΔrH° | 1353. ± 8.8 | kJ/mol | G+TS | Taft and Bordwell, 1988 | gas phase |
ΔrH° | 1341.4 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; F-; ; ΔS(acid)=19.2; ΔS(EA)=6.4 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1331.8 ± 0.63 | kJ/mol | H-TS | Blondel, Cacciani, et al., 1989 | gas phase; reported: 27129.170±0.015 cm-1 |
ΔrG° | 1331. ± 8.4 | kJ/mol | IMRE | Taft and Bordwell, 1988 | gas phase |
ΔrG° | 1319.6 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; F-; ; ΔS(acid)=19.2; ΔS(EA)=6.4 |
C3H6NO2S- + =
By formula: C3H6NO2S- + H+ = C3H7NO2S
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1395. ± 9.2 | kJ/mol | CIDC | Jones, Bernier, et al., 2007 | gas phase |
ΔrH° | 1399. ± 9.6 | kJ/mol | G+TS | Tian, Pawlow, et al., 2007 | gas phase; Calcn say SH is 3.1 kcal/mol more acidic than CO2H. See DeBlase, Kass, et al., 2014 for spectroscopy saying that it is a cyclic H-bonded species |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1370. ± 8.8 | kJ/mol | N/A | Tian, Pawlow, et al., 2007 | gas phase; Calcn say SH is 3.1 kcal/mol more acidic than CO2H. See DeBlase, Kass, et al., 2014 for spectroscopy saying that it is a cyclic H-bonded species |
ΔrG° | 1364. ± 13. | kJ/mol | CIDC | O'Hair, Bowie, et al., 1992 | gas phase |
By formula: C9H10NO3- + H+ = C9H11NO3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1425. ± 7.5 | kJ/mol | G+TS | Tian, Wang, et al., 2009 | gas phase; Probes indicate 70% phenoxide, 30% carboxylate (0.5 kcal/mol). dSacid calc at B3LYP, mixture of anions |
ΔrH° | 1413. ± 11. | kJ/mol | CIDC | Jones, Bernier, et al., 2007 | gas phase |
ΔrH° | 1413. ± 13. | kJ/mol | G+TS | O'Hair, Bowie, et al., 1992 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1391. ± 6.3 | kJ/mol | N/A | Tian, Wang, et al., 2009 | gas phase; Probes indicate 70% phenoxide, 30% carboxylate (0.5 kcal/mol). dSacid calc at B3LYP, mixture of anions |
ΔrG° | 1379. ± 13. | kJ/mol | CIDC | O'Hair, Bowie, et al., 1992 | gas phase |
C6H6N- + =
By formula: C6H6N- + H+ = C6H7N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1547. ± 21. | kJ/mol | G+TS | Meot-ner and Kafafi, 1988 | gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho. |
ΔrH° | 1568. ± 13. | kJ/mol | G+TS | DePuy, Kass, et al., 1988 | gas phase; Acid: p-methylpyridine. Between iPrOH, MeCN. |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1518. ± 21. | kJ/mol | IMRB | Meot-ner and Kafafi, 1988 | gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho. |
ΔrG° | 1540. ± 13. | kJ/mol | IMRB | DePuy, Kass, et al., 1988 | gas phase; Acid: p-methylpyridine. Between iPrOH, MeCN. |
By formula: C4H4N- + H+ = C4H5N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1504.3 ± 1.0 | kJ/mol | D-EA | Gianola, Ichino, et al., 2004 | gas phase |
ΔrH° | 1500. ± 9.2 | kJ/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
ΔrH° | 1505. ± 12. | kJ/mol | G+TS | Cumming and Kebarle, 1978 | gas phase |
ΔrH° | 1500. ± 21. | kJ/mol | EIAE | Muftakhov, Vasil'ev, et al., 1999, 2 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1468. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
ΔrG° | 1472. ± 8.4 | kJ/mol | IMRE | Cumming and Kebarle, 1978 | gas phase |
CN- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1464. ± 4.2 | kJ/mol | CIDT | Akin and Ervin, 2006 | gas phase |
ΔrH° | 1466.5 ± 0.71 | kJ/mol | D-EA | Bradforth, Kim, et al., 1993 | gas phase |
ΔrH° | 1469. ± 8.8 | kJ/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1433. ± 4.6 | kJ/mol | H-TS | Akin and Ervin, 2006 | gas phase |
ΔrG° | 1435.8 ± 1.1 | kJ/mol | H-TS | Bradforth, Kim, et al., 1993 | gas phase |
ΔrG° | 1438. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
CH2NO2- + =
By formula: CH2NO2- + H+ = CH3NO2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1498. ± 21. | kJ/mol | D-EA | Metz, Cyr, et al., 1991 | gas phase |
ΔrH° | 1491. ± 9.2 | kJ/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
ΔrH° | 1495. ± 12. | kJ/mol | G+TS | Cumming and Kebarle, 1978 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1463. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
ΔrG° | 1467. ± 8.4 | kJ/mol | IMRE | Cumming and Kebarle, 1978 | gas phase |
ΔrG° | 1467. ± 8.4 | kJ/mol | IMRE | MacKay and Bohme, 1978 | gas phase; EA: < NO2 |
CH2Br- + =
By formula: CH2Br- + H+ = CH3Br
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1660. ± 10. | kJ/mol | Endo | Hierl, Henchman, et al., 1992 | gas phase; HO- + MeBr:6.0±2.3 kcal/mol endo. "Better than Ingemann and Nibbering, 1985, 22" 2.0 kcal would not show barrier |
ΔrH° | 1650. ± 19. | kJ/mol | EIAE | Rogers, Simpson, et al., 2010 | gas phase |
ΔrH° | 1643. ± 13. | kJ/mol | G+TS | Ingemann and Nibbering, 1985 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1631. ± 14. | kJ/mol | H-TS | Hierl, Henchman, et al., 1992 | gas phase; HO- + MeBr:6.0±2.3 kcal/mol endo. "Better than Ingemann and Nibbering, 1985, 22" 2.0 kcal would not show barrier |
ΔrG° | 1614. ± 13. | kJ/mol | IMRB | Ingemann and Nibbering, 1985 | gas phase |
C6F5- + =
By formula: C6F5- + H+ = C6HF5
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1492. ± 8.8 | kJ/mol | G+TS | Buker, Nibbering, et al., 1997 | gas phase |
ΔrH° | <1559.6 ± 1.3 | kJ/mol | G+TS | Herd, Adams, et al., 1989 | gas phase; More acidic than HF, less than HCl |
ΔrH° | 1539. ± 21. | kJ/mol | D-EA | Compton and Reinhardt, 1982 | gas phase; From perfluorobenzene |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1460. ± 8.4 | kJ/mol | IMRE | Buker, Nibbering, et al., 1997 | gas phase |
ΔrG° | <1527.2 | kJ/mol | IMRB | Herd, Adams, et al., 1989 | gas phase; More acidic than HF, less than HCl |
ΔrG° | 1507. ± 21. | kJ/mol | H-TS | Compton and Reinhardt, 1982 | gas phase; From perfluorobenzene |
C6H4Cl- + =
By formula: C6H4Cl- + H+ = C6H5Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1618. ± 8.8 | kJ/mol | G+TS | Andrade and Riveros, 1996 | gas phase |
ΔrH° | 1624. ± 8.4 | kJ/mol | Bran | Wenthold and Squires, 1995 | gas phase |
ΔrH° | 1622. ± 13. | kJ/mol | G+TS | Wenthold, Paulino, et al., 1991 | gas phase; Between PhF, furan |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1584. ± 8.4 | kJ/mol | IMRE | Andrade and Riveros, 1996 | gas phase |
ΔrG° | 1590. ± 8.8 | kJ/mol | H-TS | Wenthold and Squires, 1995 | gas phase |
ΔrG° | 1588. ± 13. | kJ/mol | IMRB | Wenthold, Paulino, et al., 1991 | gas phase; Between PhF, furan |
ΔrG° | 1586. ± 21. | kJ/mol | IMRB | Bartmess and McIver Jr., 1979 | gas phase; Between H2O, MeOH |
C9H9- + =
By formula: C9H9- + H+ = C9H10
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1540. ± 9.2 | kJ/mol | G+TS | Glasovac, Eckert-Maksic, et al., 2002 | gas phase; The PhCH2CH=CH2 HOF by 81CHY/HIM is at least 4 kcal/mol too high in energy |
ΔrH° | 1540. ± 19. | kJ/mol | G+TS | Dahlke and Kass, 1991 | gas phase; Between Et2NOH, Me2CH=NOH. Reprotonation site uncertain. |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1513. ± 8.8 | kJ/mol | IMRE | Glasovac, Eckert-Maksic, et al., 2002 | gas phase; The PhCH2CH=CH2 HOF by 81CHY/HIM is at least 4 kcal/mol too high in energy |
ΔrG° | 1513. ± 19. | kJ/mol | IMRB | Dahlke and Kass, 1991 | gas phase; Between Et2NOH, Me2CH=NOH. Reprotonation site uncertain. |
C6H4FO- + =
By formula: C6H4FO- + H+ = C6H5FO
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1438. ± 8.8 | kJ/mol | G+TS | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale |
ΔrH° | 1438. ± 12. | kJ/mol | D-EA | Hernandez-Gill, Wentworth, et al., 1984 | gas phase |
ΔrH° | 1441. ± 9.6 | kJ/mol | G+TS | Kebarle and McMahon, 1977 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1409. ± 8.4 | kJ/mol | IMRE | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale |
ΔrG° | 1409. ± 12. | kJ/mol | H-TS | Hernandez-Gill, Wentworth, et al., 1984 | gas phase |
ΔrG° | 1413. ± 8.4 | kJ/mol | IMRE | Kebarle and McMahon, 1977 | gas phase |
C3H5O- + =
By formula: C3H5O- + H+ = C3H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1543. ± 8.8 | kJ/mol | D-EA | Brinkman, Berger, et al., 1993 | gas phase |
ΔrH° | 1544. ± 8.8 | kJ/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
ΔrH° | 1546. ± 11. | kJ/mol | G+TS | Cumming and Kebarle, 1978 | gas phase |
ΔrH° | 1538. ± 7.5 | kJ/mol | EIAE | Muftakhov, Vasil'ev, et al., 1999 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1514. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
ΔrG° | 1516. ± 8.4 | kJ/mol | IMRE | Cumming and Kebarle, 1978 | gas phase |
C2HF2O2- + =
By formula: C2HF2O2- + H+ = C2H2F2O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1385. ± 9.2 | kJ/mol | G+TS | Caldwell, Renneboog, et al., 1989 | gas phase |
ΔrH° | 1385. ± 9.2 | kJ/mol | G+TS | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale |
ΔrH° | 1384. ± 12. | kJ/mol | G+TS | Cumming and Kebarle, 1978 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1355. ± 8.4 | kJ/mol | IMRE | Caldwell, Renneboog, et al., 1989 | gas phase |
ΔrG° | 1355. ± 8.4 | kJ/mol | IMRE | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale |
ΔrG° | 1354. ± 8.4 | kJ/mol | IMRE | Cumming and Kebarle, 1978 | gas phase |
By formula: C2H2ClO2- + H+ = C2H3ClO2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1408. ± 9.2 | kJ/mol | G+TS | Caldwell, Renneboog, et al., 1989 | gas phase |
ΔrH° | 1407. ± 9.2 | kJ/mol | G+TS | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale |
ΔrH° | 1407. ± 12. | kJ/mol | G+TS | Cumming and Kebarle, 1978 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1377. ± 8.4 | kJ/mol | IMRE | Caldwell, Renneboog, et al., 1989 | gas phase |
ΔrG° | 1376. ± 8.4 | kJ/mol | IMRE | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale |
ΔrG° | 1376. ± 8.4 | kJ/mol | IMRE | Cumming and Kebarle, 1978 | gas phase |
By formula: C2H2FO2- + H+ = C2H3FO2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1418. ± 9.2 | kJ/mol | G+TS | Caldwell, Renneboog, et al., 1989 | gas phase |
ΔrH° | 1417. ± 9.2 | kJ/mol | G+TS | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale |
ΔrH° | 1416. ± 12. | kJ/mol | G+TS | Cumming and Kebarle, 1978 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1387. ± 8.4 | kJ/mol | IMRE | Caldwell, Renneboog, et al., 1989 | gas phase |
ΔrG° | 1386. ± 8.4 | kJ/mol | IMRE | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale |
ΔrG° | 1385. ± 8.4 | kJ/mol | IMRE | Cumming and Kebarle, 1978 | gas phase |
C6H4ClO- + =
By formula: C6H4ClO- + H+ = C6H5ClO
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1435. ± 8.8 | kJ/mol | G+TS | Fujio, McIver, et al., 1981 | gas phase; Exptl ΔHf(AH) more stable than group additivity by ca. 8 kcal/mol; value altered from reference due to change in acidity scale |
ΔrH° | 1438. ± 9.6 | kJ/mol | G+TS | Kebarle and McMahon, 1977 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1407. ± 8.4 | kJ/mol | IMRE | Fujio, McIver, et al., 1981 | gas phase; Exptl ΔHf(AH) more stable than group additivity by ca. 8 kcal/mol; value altered from reference due to change in acidity scale |
ΔrG° | 1409. ± 8.4 | kJ/mol | IMRE | Kebarle and McMahon, 1977 | gas phase |
By formula: C2F3O2- + H+ = C2HF3O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1355. ± 12. | kJ/mol | G+TS | Caldwell, Renneboog, et al., 1989 | gas phase |
ΔrH° | 1351. ± 12. | kJ/mol | G+TS | Jinfeng, Topsom, et al., 1988 | gas phase; value altered from reference due to change in acidity scale |
ΔrH° | 1351. ± 17. | kJ/mol | G+TS | Cumming and Kebarle, 1978 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1328. ± 8.4 | kJ/mol | IMRE | Caldwell, Renneboog, et al., 1989 | gas phase |
ΔrG° | 1324. ± 8.4 | kJ/mol | IMRE | Jinfeng, Topsom, et al., 1988 | gas phase; value altered from reference due to change in acidity scale |
ΔrG° | 1323. ± 8.4 | kJ/mol | IMRE | Cumming and Kebarle, 1978 | gas phase |
C2HCl2O2- + =
By formula: C2HCl2O2- + H+ = C2H2Cl2O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1374. ± 8.8 | kJ/mol | G+TS | Caldwell, Renneboog, et al., 1989 | gas phase |
ΔrH° | 1374. ± 11. | kJ/mol | G+TS | Cumming and Kebarle, 1978 | gas phase |
ΔrH° | 1369. ± 8.8 | kJ/mol | G+TS | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1347. ± 8.4 | kJ/mol | IMRE | Caldwell, Renneboog, et al., 1989 | gas phase |
ΔrG° | 1347. ± 8.4 | kJ/mol | IMRE | Cumming and Kebarle, 1978 | gas phase |
ΔrG° | 1342. ± 8.4 | kJ/mol | IMRE | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale |
C6H4ClO- + =
By formula: C6H4ClO- + H+ = C6H5ClO
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1430. ± 15. | kJ/mol | G+TS | Fujio, McIver, et al., 1981 | gas phase; Exptl ΔHf(AH) more stable than group additivity by 6 kcal/mol; value altered from reference due to change in acidity scale |
ΔrH° | 1433. ± 21. | kJ/mol | G+TS | Kebarle and McMahon, 1977 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1402. ± 8.4 | kJ/mol | IMRE | Fujio, McIver, et al., 1981 | gas phase; Exptl ΔHf(AH) more stable than group additivity by 6 kcal/mol; value altered from reference due to change in acidity scale |
ΔrG° | 1404. ± 8.4 | kJ/mol | IMRE | Kebarle and McMahon, 1977 | gas phase |
C3H4F- + =
By formula: C3H4F- + H+ = C3H5F
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1586. ± 13. | kJ/mol | G+TS | Bartmess and Burnham, 1984 | gas phase; value altered from reference due to change in acidity scale |
ΔrH° | 1579. ± 8.8 | kJ/mol | G+TS | McMahon and Northcott, 1978 | gas phase; value altered from reference due to change in acidity scale |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1559. ± 13. | kJ/mol | IMRB | Bartmess and Burnham, 1984 | gas phase; value altered from reference due to change in acidity scale |
ΔrG° | 1551. ± 8.4 | kJ/mol | IMRB | McMahon and Northcott, 1978 | gas phase; value altered from reference due to change in acidity scale |
CHN2- + =
By formula: CHN2- + H+ = CH2N2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1467. ± 9.6 | kJ/mol | G+TS | Koppel, Taft, et al., 1994 | gas phase; DH: 99±3, 97BOR/JI 2 |
ΔrH° | 1461. ± 12. | kJ/mol | G+TS | Cacace, Depetris, et al., 1993 | gas phase |
ΔrH° | 1472. ± 13. | kJ/mol | G+TS | Kroeker and Kass, 1990 | gas phase; Between tBuSH, HOAc |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1440. ± 8.4 | kJ/mol | IMRE | Koppel, Taft, et al., 1994 | gas phase; DH: 99±3, 97BOR/JI 2 |
ΔrG° | 1433. ± 10. | kJ/mol | IMRE | Cacace, Depetris, et al., 1993 | gas phase |
ΔrG° | 1445. ± 13. | kJ/mol | IMRB | Kroeker and Kass, 1990 | gas phase; Between tBuSH, HOAc |
C2H3O- + =
By formula: C2H3O- + H+ = C2H4O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1645.1 ± 4.0 | kJ/mol | D-EA | Nimlos, Soderquist, et al., 1989 | gas phase |
ΔrH° | 1636. ± 8.8 | kJ/mol | G+TS | DePuy, Bierbaum, et al., 1985 | gas phase |
ΔrH° | 1619. ± 33. | kJ/mol | CIDT | Graul and Squires, 1990 | gas phase |
ΔrH° | <1598.3 | kJ/mol | CIDT | Graul and Squires, 1988 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1613. ± 4.6 | kJ/mol | H-TS | Nimlos, Soderquist, et al., 1989 | gas phase |
ΔrG° | 1604. ± 8.4 | kJ/mol | IMRB | DePuy, Bierbaum, et al., 1985 | gas phase |
ΔrG° | <1565.9 ± 2.5 | kJ/mol | H-TS | Graul and Squires, 1988 | gas phase |
C7H4F3O3S- + = C7H5F3O3S
By formula: C7H4F3O3S- + H+ = C7H5F3O3S
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1349. ± 8.8 | kJ/mol | G+TS | Koppel, Taft, et al., 1994 | gas phase |
ΔrH° | 1348. ± 8.8 | kJ/mol | G+TS | Taft and Topsom, 1987 | gas phase; Slightly revised with re-anchoring, 1991. 91TAF; value altered from reference due to change in acidity scale |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1321. ± 8.4 | kJ/mol | IMRE | Koppel, Taft, et al., 1994 | gas phase |
ΔrG° | 1319. ± 8.4 | kJ/mol | IMRE | Taft and Topsom, 1987 | gas phase; Slightly revised with re-anchoring, 1991. 91TAF; value altered from reference due to change in acidity scale |
C3H9Si- + =
By formula: C3H9Si- + H+ = C3H10Si
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1614. ± 9.2 | kJ/mol | D-EA | Wetzel, Salomon, et al., 1989 | gas phase |
ΔrH° | 1607. ± 17. | kJ/mol | G+TS | Damrauer, Kass, et al., 1988 | gas phase; Between furan and methanol. |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1584. ± 9.6 | kJ/mol | H-TS | Wetzel, Salomon, et al., 1989 | gas phase |
ΔrG° | 1577. ± 17. | kJ/mol | IMRB | Damrauer, Kass, et al., 1988 | gas phase; Between furan and methanol. |
ΔrG° | 1565. ± 13. | kJ/mol | IMRB | Grimm and Bartmess, 1992 | gas phase |
ΔrG° | >1569. ± 13. | kJ/mol | IMRB | Wetzel, Salomon, et al., 1989 | gas phase |
C5H11O- + =
By formula: C5H11O- + H+ = C5H12O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1566. ± 8.4 | kJ/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
ΔrH° | 1563. ± 12. | kJ/mol | G+TS | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1538. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
ΔrG° | 1535. ± 11. | kJ/mol | CIDC | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale |
C5H11O- + =
By formula: C5H11O- + H+ = C5H12O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1560. ± 8.4 | kJ/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
ΔrH° | 1559. ± 12. | kJ/mol | G+TS | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1532. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
ΔrG° | 1532. ± 11. | kJ/mol | CIDC | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale |
C5H11O- + =
By formula: C5H11O- + H+ = C5H12O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1559. ± 8.4 | kJ/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
ΔrH° | 1561. ± 12. | kJ/mol | G+TS | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1532. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
ΔrG° | 1533. ± 11. | kJ/mol | CIDC | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale |
C6H13O- + =
By formula: C6H13O- + H+ = C6H14O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1564. ± 8.4 | kJ/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
ΔrH° | 1561. ± 10. | kJ/mol | G+TS | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1536. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
ΔrG° | 1533. ± 9.6 | kJ/mol | CIDC | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale |
C6H13O- + =
By formula: C6H13O- + H+ = C6H14O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1558. ± 8.4 | kJ/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
ΔrH° | 1557. ± 12. | kJ/mol | G+TS | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1531. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
ΔrG° | 1529. ± 11. | kJ/mol | CIDC | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Davidson, Fehsenfeld, et al., 1977
Davidson, J.A.; Fehsenfeld, F.C.; Howard, C.J.,
The heats of formation of NO3- and NO3- association complexes with HNO3 and HBr,
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Notes
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- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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