Carbon dioxide

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Gas phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry data, 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
Δfgas-94.051 ± 0.031kcal/molReviewCox, Wagman, et al., 1984CODATA Review value
Δfgas-94.054kcal/molReviewChase, 1998Data last reviewed in September, 1965
Quantity Value Units Method Reference Comment
gas,1 bar51.0958 ± 0.0024cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar51.097cal/mol*KReviewChase, 1998Data last reviewed in September, 1965

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) 298. to 1200.1200. to 6000.
A 5.97451113.90210
B 13.190000.650113
C -8.052431-0.117660
D 1.8997110.009284
E -0.032657-1.540941
F -96.46451-101.7970
G 54.5514163.00490
H -94.05411-94.05411
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in September, 1965 Data last reviewed in September, 1965

Phase change data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Ttriple216.58KN/AMarsh, 1987Uncertainty assigned by TRC = 0.008 K; recommended as fixed point for thermometery; TRC
Ttriple216.58KN/AAngus, Armstrong, et al., 1976Uncertainty assigned by TRC = 0.03 K; TRC
Quantity Value Units Method Reference Comment
Ptriple5.117atmN/AAngus, Armstrong, et al., 1976Uncertainty assigned by TRC = 0.005 atm; TRC
Quantity Value Units Method Reference Comment
Tc304.18KN/ASuehiro, Nakajima, et al., 1996Uncertainty assigned by TRC = 0.04 K; TRC
Tc304.1KN/AWeber, 1989Uncertainty assigned by TRC = 0.1 K; TRC
Tc304.35KN/ALi and Kiran, 1988Uncertainty assigned by TRC = 0.4 K; TRC
Tc304.200KN/AMorrison, 1981Uncertainty assigned by TRC = 0.02 K; TRC
Tc304.23KN/AEfremova and Shvarts, 1972Visual, agreement with literature evidence of sample purity; TRC
Quantity Value Units Method Reference Comment
Pc72.83atmN/ASuehiro, Nakajima, et al., 1996Uncertainty assigned by TRC = 0.15 atm; TRC
Pc72.44atmN/ALi and Kiran, 1988Uncertainty assigned by TRC = 0.49 atm; TRC
Pc72.860atmN/AAngus, Armstrong, et al., 1976Uncertainty assigned by TRC = 0.005 atm; TRC
Quantity Value Units Method Reference Comment
Vc0.0919l/molN/ALi and Kiran, 1988Uncertainty assigned by TRC = 0.001 l/mol; TRC
Quantity Value Units Method Reference Comment
ρc10.6mol/lN/ASuehiro, Nakajima, et al., 1996Uncertainty assigned by TRC = 0.05 mol/l; TRC
ρc10.590mol/lN/AAngus, Armstrong, et al., 1976Uncertainty assigned by TRC = 0.007 mol/l; TRC
ρc10.8mol/lN/AAndrizhievskii and Chernova, 1970Uncertainty assigned by TRC = 0.2 mol/l; TRC
ρc10.64mol/lN/ALowry and Erickson, 1927Uncertainty assigned by TRC = 0.034 mol/l; from a plot of (DN(liq) + DN(g))/2 based on exp. measurement and extrapolated to 31.0 deg C; TRC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
3.99288.AStephenson and Malanowski, 1987Based on data from 273. to 304. K.; AC
3.92258.AStephenson and Malanowski, 1987Based on data from 216. to 273. K.; AC
3.94282.N/ABoublík and Aim, 1972Based on data from 267. to 303. K.; AC

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
154.26 to 195.896.806571301.679-3.494Giauque and Egan, 1937Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
6.24207.AStephenson and Malanowski, 1987Based on data from 198. to 216. K.; AC
6.50 ± 0.170. to 102.LEBryson, Cazcarra, et al., 1974AC
6.19188.N/AAmbrose, 1956Based on data from 179. to 198. K.; AC
6.29167.AStull, 1947Based on data from 139. to 195. K.; AC
6.02195.N/AGiauque and Egan, 1937, 2Based on data from 154. to 196. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change 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 as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - 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 1 to 50

Oxygen cation + Carbon dioxide = (Oxygen cation • Carbon dioxide)

By formula: O2+ + CO2 = (O2+ • CO2)

Quantity Value Units Method Reference Comment
Δr9.8 ± 0.9kcal/molAVGN/AAverage of 4 out of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr17.5cal/mol*KPHPMSHiraoka, Nakajima, et al., 1988gas phase; M
Δr18.9cal/mol*KDTIllies, 1988gas phase; ΔrH(0 K)=9.80 kcal/mol; M
Δr20.7cal/mol*KN/ADotan, Davidson, et al., 1978gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970; M
Δr20.cal/mol*KN/AMeot-Ner (Mautner) and Field, 1977gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M
Quantity Value Units Method Reference Comment
Δr4.4kcal/molDTRakshit and Warneck, 1981gas phase; M
Δr4.3kcal/molFADotan, Davidson, et al., 1978gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.4600.PHPMSMeot-Ner (Mautner) and Field, 1977gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M

CO2+ + Carbon dioxide = (CO2+ • Carbon dioxide)

By formula: CO2+ + CO2 = (CO2+ • CO2)

Quantity Value Units Method Reference Comment
Δr16. ± 1.kcal/molAVGN/AAverage of 7 out of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Δr19.1cal/mol*KPHPMSHiraoka, Nakajima, et al., 1988gas phase; M
Δr18.6cal/mol*KDTIllies, 1988gas phase; ΔrH(0 K)=15.9 kcal/mol; M
Δr19.5cal/mol*KDTVan Koppen, Kemper, et al., 1983gas phase; M
Δr22.8cal/mol*KPHPMSHeadley, Mason, et al., 1982gas phase; M
Δr21.1cal/mol*KPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; M

O- + Carbon dioxide = (O- • Carbon dioxide)

By formula: O- + CO2 = (O- • CO2)

Quantity Value Units Method Reference Comment
Δr48. ± 10.kcal/molAVGN/AAverage of 8 out of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Δr48.0 ± 5.0kcal/molIMREAdams and Bohme, 1970gas phase; O3- + CO2 <=> CO3- + O2; B

Iodide + Carbon dioxide = (Iodide • Carbon dioxide)

By formula: I- + CO2 = (I- • CO2)

Quantity Value Units Method Reference Comment
Δr3.7 ± 1.8kcal/molN/APiani, Becucci, et al., 2008gas phase; Stated electron affinity is the Vertical Detachment Energy; B
Δr4.0 ± 2.0kcal/molPDisArnold, Bradforth, et al., 1995gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B
Δr4.7 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Δr3.20kcal/molN/AGomez, Taylor, et al., 2002gas phase; EA=Vertical Detachment Energy. Affinity is stepwise difference in EAs.; B
Δr5.60 ± 0.10kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr13.4cal/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Δr18.2cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr0.7 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B
Δr0.80 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B,M
Δr0.40 ± 0.10kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B

Oxygen anion + Carbon dioxide = (Oxygen anion • Carbon dioxide)

By formula: O2- + CO2 = (O2- • CO2)

Quantity Value Units Method Reference Comment
Δr19.00 ± 0.20kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B,M
Δr17.7 ± 1.8kcal/molIMREPack and Phelps, 1966gas phase; Corrected with more recent EA(O2) = 0.45 eV; B,M
Δr25.4 ± 4.6kcal/molPDisVestal and Mauclaire, 1977gas phase; B
Quantity Value Units Method Reference Comment
Δr24.2cal/mol*KPHPMSHiraoka and Yamabe, 1992gas phase; M
Δr21.cal/mol*KDTPack and Phelps, 1966gas phase; M
Quantity Value Units Method Reference Comment
Δr11.7 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B
Δr12.2 ± 1.2kcal/molIMREPack and Phelps, 1966gas phase; Corrected with more recent EA(O2) = 0.45 eV; B
Δr10.0kcal/molFAAdams and Bohme, 1970gas phase; switching reaction(O2-)O2; Conway and Nesbit, 1968; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
12.9296.FAFehsenfeld and Ferguson, 1974gas phase; switching reaction(O2-)H2O; Arshadi and Kebarle, 1970; M

Fluorine anion + Carbon dioxide = (Fluorine anion • Carbon dioxide)

By formula: F- + CO2 = (F- • CO2)

Quantity Value Units Method Reference Comment
Δr32.07kcal/molN/AArnold, Bradforth, et al., 1995, 2gas phase; B
Δr32.3 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Δr31.7 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B,M
Δr33.0 ± 3.0kcal/molIMREMcMahon and Northcott, 1978gas phase; B
Quantity Value Units Method Reference Comment
Δr26.7cal/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Δr24.cal/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Δr24.3 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B
Δr24.5 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B,M
Δr11.6kcal/molFASpears and Ferguson, 1973gas phase; DG>; M

Chlorine anion + Carbon dioxide = (Chlorine anion • Carbon dioxide)

By formula: Cl- + CO2 = (Cl- • CO2)

Quantity Value Units Method Reference Comment
Δr6.80 ± 0.50kcal/molPDisArnold, Bradforth, et al., 1995, 2gas phase; Affinity: shift in apparent EA from lesser-solvated ion. Ignores any neutral-neutral bond.; B
Δr7.60kcal/molTDEqHiraoka, Shoda, et al., 1986gas phase; B,M
Δr8.00 ± 0.10kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr18.2cal/mol*KPHPMSHiraoka, Shoda, et al., 1986gas phase; M
Δr19.6cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr2.10kcal/molTDEqHiraoka, Shoda, et al., 1986gas phase; B
Δr2.10 ± 0.10kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B

(Iodide • 2Carbon dioxide) + Carbon dioxide = (Iodide • 3Carbon dioxide)

By formula: (I- • 2CO2) + CO2 = (I- • 3CO2)

Quantity Value Units Method Reference Comment
Δr2.20kcal/molN/AGomez, Taylor, et al., 2002gas phase; EA=Vertical Detachment Energy. Affinity is stepwise difference in EAs.; B
Δr3.7 ± 2.0kcal/molPDisArnold, Bradforth, et al., 1995gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B
Δr4.6 ± 1.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr18.4cal/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr-0.6 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

(Iodide • 4Carbon dioxide) + Carbon dioxide = (Iodide • 5Carbon dioxide)

By formula: (I- • 4CO2) + CO2 = (I- • 5CO2)

Quantity Value Units Method Reference Comment
Δr1.70kcal/molN/AGomez, Taylor, et al., 2002gas phase; EA=Vertical Detachment Energy. Affinity is stepwise difference in EAs.; B
Δr3.1 ± 2.0kcal/molPDisArnold, Bradforth, et al., 1995gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B
Δr4.3 ± 1.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.0cal/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr-1.4 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

(Iodide • Carbon dioxide) + Carbon dioxide = (Iodide • 2Carbon dioxide)

By formula: (I- • CO2) + CO2 = (I- • 2CO2)

Quantity Value Units Method Reference Comment
Δr3.6 ± 2.0kcal/molPDisArnold, Bradforth, et al., 1995gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B
Δr4.7 ± 1.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Δr2.60kcal/molN/AGomez, Taylor, et al., 2002gas phase; EA=Vertical Detachment Energy. Affinity is stepwise difference in EAs.; B
Quantity Value Units Method Reference Comment
Δr17.3cal/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr0.7 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

(Iodide • 5Carbon dioxide) + Carbon dioxide = (Iodide • 6Carbon dioxide)

By formula: (I- • 5CO2) + CO2 = (I- • 6CO2)

Quantity Value Units Method Reference Comment
Δr3.0 ± 2.0kcal/molPDisArnold, Bradforth, et al., 1995gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B
Δr1.80kcal/molN/AGomez, Taylor, et al., 2002gas phase; EA=Vertical Detachment Energy. Affinity is stepwise difference in EAs.; B
Δr4.2kcal/molPHPMSHiraoka, Mizuse, et al., 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr19.cal/mol*KN/AHiraoka, Mizuse, et al., 1987gas phase; Entropy change calculated or estimated; M

(Sodium ion (1+) • Carbon dioxide) + Water = (Sodium ion (1+) • Water • Carbon dioxide)

By formula: (Na+ • CO2) + H2O = (Na+ • H2O • CO2)

Quantity Value Units Method Reference Comment
Δr20.7kcal/molHPMSPeterson, Mark, et al., 1984gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M
Δr22.9kcal/molFAPerry, Rowe, et al., 1980gas phase; From thermochemical cycle(Na+) 2H2O; Dzidic and Kebarle, 1970, Peterson, Mark, et al., 1984; M
Quantity Value Units Method Reference Comment
Δr25.3cal/mol*KHPMSPeterson, Mark, et al., 1984gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M
Δr25.6cal/mol*KFAPerry, Rowe, et al., 1980gas phase; From thermochemical cycle(Na+) 2H2O; Dzidic and Kebarle, 1970, Peterson, Mark, et al., 1984; M

CHO2+ + Carbon dioxide = (CHO2+ • Carbon dioxide)

By formula: CHO2+ + CO2 = (CHO2+ • CO2)

Quantity Value Units Method Reference Comment
Δr19.8kcal/molPHPMSSzulejko and McMahon, 1992gas phase; M
Δr18.0kcal/molPHPMSHiraoka, Shoda, et al., 1986gas phase; M
Δr19.1kcal/molPHPMSJennings, Headley, et al., 1982gas phase; M
Δr20.1kcal/molPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; M
Quantity Value Units Method Reference Comment
Δr26.6cal/mol*KPHPMSSzulejko and McMahon, 1992gas phase; M
Δr22.2cal/mol*KPHPMSHiraoka, Shoda, et al., 1986gas phase; M
Δr27.1cal/mol*KPHPMSJennings, Headley, et al., 1982gas phase; M
Δr24.2cal/mol*KPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; M

(Iodide • 3Carbon dioxide) + Carbon dioxide = (Iodide • 4Carbon dioxide)

By formula: (I- • 3CO2) + CO2 = (I- • 4CO2)

Quantity Value Units Method Reference Comment
Δr1.80kcal/molN/AGomez, Taylor, et al., 2002gas phase; EA=Vertical Detachment Energy. Affinity is stepwise difference in EAs.; B
Δr3.6 ± 2.0kcal/molPDisArnold, Bradforth, et al., 1995gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B
Δr4.5 ± 1.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B
Quantity Value Units Method Reference Comment
Δr-1.0 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

Nitrogen oxide anion + Carbon dioxide = (Nitrogen oxide anion • Carbon dioxide)

By formula: NO2- + CO2 = (NO2- • CO2)

Quantity Value Units Method Reference Comment
Δr7.30 ± 0.20kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B,M
Δr9.30 ± 0.10kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr17.2cal/mol*KPHPMSHiraoka and Yamabe, 1992gas phase; M
Δr24.2cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr2.1 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B
Δr2.00 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B

Nitric oxide anion + Carbon dioxide = (Nitric oxide anion • Carbon dioxide)

By formula: NO- + CO2 = (NO- • CO2)

Quantity Value Units Method Reference Comment
Δr8.5 ± 0.3kcal/molDTIllies, 1988gas phase; ΔrH(0 K)=8.60 kcal/mol; M
Δr7.7 ± 0.4kcal/molPHPMSHiraoka and Yamabe, 1991gas phase; M
Δr13.8kcal/molFADunkin, Fehsenfeld, et al., 1971gas phase; switching reaction(NO+)NO, ΔrH<; M
Quantity Value Units Method Reference Comment
Δr18.0cal/mol*KDTIllies, 1988gas phase; ΔrH(0 K)=8.60 kcal/mol; M
Δr13.7cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M

(Bromine anion • Carbon dioxide) + Carbon dioxide = (Bromine anion • 2Carbon dioxide)

By formula: (Br- • CO2) + CO2 = (Br- • 2CO2)

Quantity Value Units Method Reference Comment
Δr5.1 ± 2.0kcal/molPDisArnold, Bradforth, et al., 1995gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B
Δr6.0 ± 1.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.0cal/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr0.3 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

(CO2+ • Carbon dioxide) + Carbon dioxide = (CO2+ • 2Carbon dioxide)

By formula: (CO2+ • CO2) + CO2 = (CO2+ • 2CO2)

Quantity Value Units Method Reference Comment
Δr5.6 ± 0.3kcal/molPHPMSHiraoka, Nakajima, et al., 1988gas phase; M
Δr8.3kcal/molEICameron, Aitken, et al., 1994gas phase; M
Δr3.3kcal/molPILinn and Ng, 1981gas phase; M
Δr6.0kcal/molPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; M
Quantity Value Units Method Reference Comment
Δr14.1cal/mol*KPHPMSHiraoka, Nakajima, et al., 1988gas phase; M
Δr24.0cal/mol*KPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; M

Bromine anion + Carbon dioxide = (Bromine anion • Carbon dioxide)

By formula: Br- + CO2 = (Br- • CO2)

Quantity Value Units Method Reference Comment
Δr5.3 ± 2.0kcal/molPDisArnold, Bradforth, et al., 1995, 2gas phase; Affinity: shift in apparent EA from lesser-solvated ion. Ignores any neutral-neutral bond.; B
Δr6.7 ± 1.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr16.5cal/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr1.8 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

(Chlorine anion • 2Carbon dioxide) + Carbon dioxide = (Chlorine anion • 3Carbon dioxide)

By formula: (Cl- • 2CO2) + CO2 = (Cl- • 3CO2)

Quantity Value Units Method Reference Comment
Δr6.8 ± 1.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B
Δr6.80kcal/molTDAsHiraoka, Shoda, et al., 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.4cal/mol*KPHPMSHiraoka, Shoda, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr0.1 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B
Δr0.10kcal/molTDAsHiraoka, Shoda, et al., 1986gas phase; B

(Chlorine anion • Carbon dioxide) + Carbon dioxide = (Chlorine anion • 2Carbon dioxide)

By formula: (Cl- • CO2) + CO2 = (Cl- • 2CO2)

Quantity Value Units Method Reference Comment
Δr7.2 ± 1.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B
Δr7.20kcal/molTDAsHiraoka, Shoda, et al., 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr20.8cal/mol*KPHPMSHiraoka, Shoda, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr-1.4 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B
Δr1.00kcal/molTDAsHiraoka, Shoda, et al., 1986gas phase; B

Hydronium cation + Carbon dioxide = (Hydronium cation • Carbon dioxide)

By formula: H3O+ + CO2 = (H3O+ • CO2)

Quantity Value Units Method Reference Comment
Δr14.3kcal/molPHPMSSzulejko and McMahon, 1992gas phase; M
Δr15.3kcal/molPHPMSHiraoka, Shoda, et al., 1986gas phase; M
Δr14.4kcal/molPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; M
Quantity Value Units Method Reference Comment
Δr21.2cal/mol*KPHPMSSzulejko and McMahon, 1992gas phase; M
Δr24.6cal/mol*KPHPMSHiraoka, Shoda, et al., 1986gas phase; M
Δr20.7cal/mol*KPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; M

(Sodium ion (1+) • 2Water • Carbon dioxide) + Water = (Sodium ion (1+) • 3Water • Carbon dioxide)

By formula: (Na+ • 2H2O • CO2) + H2O = (Na+ • 3H2O • CO2)

Quantity Value Units Method Reference Comment
Δr12.4kcal/molHPMSPeterson, Mark, et al., 1984gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KHPMSPeterson, Mark, et al., 1984gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M
Quantity Value Units Method Reference Comment
Δr5.5kcal/molHPMSPeterson, Mark, et al., 1984gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M

(Oxygen cation • Carbon dioxide) + Carbon dioxide = (Oxygen cation • 2Carbon dioxide)

By formula: (O2+ • CO2) + CO2 = (O2+ • 2CO2)

Quantity Value Units Method Reference Comment
Δr8.6 ± 0.5kcal/molPHPMSHiraoka, Nakajima, et al., 1988gas phase; M
Δr7.5kcal/molPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr18.7cal/mol*KPHPMSHiraoka, Nakajima, et al., 1988gas phase; M
Δr15.cal/mol*KPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; Entropy change is questionable; M

(Sodium ion (1+) • 3Water) + Carbon dioxide = (Sodium ion (1+) • Carbon dioxide • 3Water)

By formula: (Na+ • 3H2O) + CO2 = (Na+ • CO2 • 3H2O)

Quantity Value Units Method Reference Comment
Δr7.2kcal/molHPMSPeterson, Mark, et al., 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/APeterson, Mark, et al., 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr-0.3kcal/molHPMSPeterson, Mark, et al., 1984gas phase; Entropy change calculated or estimated; M

(Sodium ion (1+) • 3Carbon dioxide) + Carbon dioxide = (Sodium ion (1+) • 4Carbon dioxide)

By formula: (Na+ • 3CO2) + CO2 = (Na+ • 4CO2)

Quantity Value Units Method Reference Comment
Δr8.4kcal/molHPMSPeterson, Mark, et al., 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/APeterson, Mark, et al., 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
0.7310.HPMSPeterson, Mark, et al., 1984gas phase; Entropy change calculated or estimated; M

Sodium ion (1+) + Carbon dioxide = (Sodium ion (1+) • Carbon dioxide)

By formula: Na+ + CO2 = (Na+ • CO2)

Quantity Value Units Method Reference Comment
Δr15.9kcal/molHPMSPeterson, Mark, et al., 1984gas phase; M
Δr13.7kcal/molFAPerry, Rowe, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr20.1cal/mol*KHPMSPeterson, Mark, et al., 1984gas phase; M
Δr19.8cal/mol*KFAPerry, Rowe, et al., 1980gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.6310.DTKeller and Beyer, 1971gas phase; low E/N; M

(Iodide • 6Carbon dioxide) + Carbon dioxide = (Iodide • 7Carbon dioxide)

By formula: (I- • 6CO2) + CO2 = (I- • 7CO2)

Quantity Value Units Method Reference Comment
Δr3.3 ± 2.0kcal/molPDisArnold, Bradforth, et al., 1995gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B
Δr1.90kcal/molN/AGomez, Taylor, et al., 2002gas phase; EA=Vertical Detachment Energy. Affinity is stepwise difference in EAs.; B

(Iodide • 7Carbon dioxide) + Carbon dioxide = (Iodide • 8Carbon dioxide)

By formula: (I- • 7CO2) + CO2 = (I- • 8CO2)

Quantity Value Units Method Reference Comment
Δr3.1 ± 2.0kcal/molPDisArnold, Bradforth, et al., 1995gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B
Δr1.90kcal/molN/AGomez, Taylor, et al., 2002gas phase; EA=Vertical Detachment Energy. Affinity is stepwise difference in EAs.; B

(Chlorine anion • 3Carbon dioxide) + Carbon dioxide = (Chlorine anion • 4Carbon dioxide)

By formula: (Cl- • 3CO2) + CO2 = (Cl- • 4CO2)

Quantity Value Units Method Reference Comment
Δr6.40kcal/molTDAsHiraoka, Shoda, et al., 1986gas phase; entropy estimated.; B,M
Quantity Value Units Method Reference Comment
Δr24.cal/mol*KN/AHiraoka, Shoda, et al., 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr-0.80kcal/molTDAsHiraoka, Shoda, et al., 1986gas phase; entropy estimated.; B

CO3- + Carbon dioxide = C2O5-

By formula: CO3- + CO2 = C2O5-

Quantity Value Units Method Reference Comment
Δr5.90 ± 0.20kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B
Δr7.10 ± 0.10kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B
Quantity Value Units Method Reference Comment
Δr1.0 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B
Δr0.60 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B

HO- + Carbon dioxide = (HO- • Carbon dioxide)

By formula: HO- + CO2 = (HO- • CO2)

Quantity Value Units Method Reference Comment
Δr50.9 ± 2.5kcal/molCIDTSquires, 1992gas phase; Dissociative protonation threshold at nPrSH, 9 kcal> calc. CIDC(HOCO2-..HSH) = 7:1 HOCO2-; B
Δr87.60kcal/molEndoHierl and Paulson, 1984gas phase; Implies ΔHacid = 291.4, anion appears too stable - JEB; B

(CO2+ • 2Carbon dioxide) + Carbon dioxide = (CO2+ • 3Carbon dioxide)

By formula: (CO2+ • 2CO2) + CO2 = (CO2+ • 3CO2)

Quantity Value Units Method Reference Comment
Δr6.0kcal/molEICameron, Aitken, et al., 1994gas phase; M
Δr5.1 ± 0.3kcal/molPHPMSHiraoka, Nakajima, et al., 1988gas phase; M
Δr2.8kcal/molPILinn and Ng, 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr19.1cal/mol*KPHPMSHiraoka, Nakajima, et al., 1988gas phase; M

(Sodium ion (1+) • Water • Carbon dioxide) + Water = (Sodium ion (1+) • 2Water • Carbon dioxide)

By formula: (Na+ • H2O • CO2) + H2O = (Na+ • 2H2O • CO2)

Quantity Value Units Method Reference Comment
Δr17.4kcal/molHPMSPeterson, Mark, et al., 1984gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M
Quantity Value Units Method Reference Comment
Δr23.6cal/mol*KHPMSPeterson, Mark, et al., 1984gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M

(Fluorine anion • 3Carbon dioxide) + Carbon dioxide = (Fluorine anion • 4Carbon dioxide)

By formula: (F- • 3CO2) + CO2 = (F- • 4CO2)

Quantity Value Units Method Reference Comment
Δr5.8 ± 1.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr20.3cal/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr-0.2 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

(Fluorine anion • 4Carbon dioxide) + Carbon dioxide = (Fluorine anion • 5Carbon dioxide)

By formula: (F- • 4CO2) + CO2 = (F- • 5CO2)

Quantity Value Units Method Reference Comment
Δr5.6 ± 1.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.3cal/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr-1.0 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

(Fluorine anion • 5Carbon dioxide) + Carbon dioxide = (Fluorine anion • 6Carbon dioxide)

By formula: (F- • 5CO2) + CO2 = (F- • 6CO2)

Quantity Value Units Method Reference Comment
Δr5.3 ± 1.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.5cal/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr-1.4 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

C7O15- + 7Carbon dioxide = C8O17-

By formula: C7O15- + 7CO2 = C8O17-

Quantity Value Units Method Reference Comment
Δr4.5 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1992gas phase; Estimated entropy; single temperature measurement; B
Quantity Value Units Method Reference Comment
Δr-2.1 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1992gas phase; Estimated entropy; single temperature measurement; B

(Fluorine anion • 2Carbon dioxide) + Carbon dioxide = (Fluorine anion • 3Carbon dioxide)

By formula: (F- • 2CO2) + CO2 = (F- • 3CO2)

Quantity Value Units Method Reference Comment
Δr7.2 ± 1.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.6cal/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr0.5 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

(Fluorine anion • Carbon dioxide) + Carbon dioxide = (Fluorine anion • 2Carbon dioxide)

By formula: (F- • CO2) + CO2 = (F- • 2CO2)

Quantity Value Units Method Reference Comment
Δr7.3 ± 1.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr18.2cal/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr1.9 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

(Oxygen anion • 2Carbon dioxide) + Carbon dioxide = (Oxygen anion • 3Carbon dioxide)

By formula: (O2- • 2CO2) + CO2 = (O2- • 3CO2)

Quantity Value Units Method Reference Comment
Δr6.3 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.0cal/mol*KPHPMSHiraoka and Yamabe, 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr-0.6 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B

(Oxygen anion • 3Carbon dioxide) + Carbon dioxide = (Oxygen anion • 4Carbon dioxide)

By formula: (O2- • 3CO2) + CO2 = (O2- • 4CO2)

Quantity Value Units Method Reference Comment
Δr4.8 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B,M
Quantity Value Units Method Reference Comment
Δr18.7cal/mol*KPHPMSHiraoka and Yamabe, 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr-0.8 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B

(Oxygen anion • 4Carbon dioxide) + Carbon dioxide = (Oxygen anion • 5Carbon dioxide)

By formula: (O2- • 4CO2) + CO2 = (O2- • 5CO2)

Quantity Value Units Method Reference Comment
Δr4.5 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B,M
Quantity Value Units Method Reference Comment
Δr18.4cal/mol*KPHPMSHiraoka and Yamabe, 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr-1.1 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B

(Oxygen anion • 5Carbon dioxide) + Carbon dioxide = (Oxygen anion • 6Carbon dioxide)

By formula: (O2- • 5CO2) + CO2 = (O2- • 6CO2)

Quantity Value Units Method Reference Comment
Δr4.2 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.0cal/mol*KPHPMSHiraoka and Yamabe, 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr-1.5 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B

(Oxygen anion • 6Carbon dioxide) + Carbon dioxide = (Oxygen anion • 7Carbon dioxide)

By formula: (O2- • 6CO2) + CO2 = (O2- • 7CO2)

Quantity Value Units Method Reference Comment
Δr4.0 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.3cal/mol*KPHPMSHiraoka and Yamabe, 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr-1.8 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B

(Oxygen anion • Carbon dioxide) + Carbon dioxide = (Oxygen anion • 2Carbon dioxide)

By formula: (O2- • CO2) + CO2 = (O2- • 2CO2)

Quantity Value Units Method Reference Comment
Δr6.60 ± 0.20kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B,M
Quantity Value Units Method Reference Comment
Δr18.2cal/mol*KPHPMSHiraoka and Yamabe, 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr1.1 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B

(Nitrogen oxide anion • 2Carbon dioxide) + Carbon dioxide = (Nitrogen oxide anion • 3Carbon dioxide)

By formula: (NO2- • 2CO2) + CO2 = (NO2- • 3CO2)

Quantity Value Units Method Reference Comment
Δr6.3 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.3cal/mol*KPHPMSHiraoka and Yamabe, 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr-0.7 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B

(Nitrogen oxide anion • 3Carbon dioxide) + Carbon dioxide = (Nitrogen oxide anion • 4Carbon dioxide)

By formula: (NO2- • 3CO2) + CO2 = (NO2- • 4CO2)

Quantity Value Units Method Reference Comment
Δr6.0 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B,M
Quantity Value Units Method Reference Comment
Δr25.9cal/mol*KPHPMSHiraoka and Yamabe, 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr-1.7 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B

(Nitrogen oxide anion • 4Carbon dioxide) + Carbon dioxide = (Nitrogen oxide anion • 5Carbon dioxide)

By formula: (NO2- • 4CO2) + CO2 = (NO2- • 5CO2)

Quantity Value Units Method Reference Comment
Δr5.2 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.3cal/mol*KPHPMSHiraoka and Yamabe, 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr-1.8 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B

(Nitrogen oxide anion • 5Carbon dioxide) + Carbon dioxide = (Nitrogen oxide anion • 6Carbon dioxide)

By formula: (NO2- • 5CO2) + CO2 = (NO2- • 6CO2)

Quantity Value Units Method Reference Comment
Δr4.9 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.1cal/mol*KPHPMSHiraoka and Yamabe, 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr-2.0 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1992gas phase; B

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Notes

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

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]

Chase, 1998
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Marsh, 1987
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Angus, Armstrong, et al., 1976
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Suehiro, Nakajima, et al., 1996
Suehiro, Y.; Nakajima, M.; Yamada, K.; Uematsu, M., Critical parameters of {xCO2 + (1 - x)CHF3} for x = (1.0000, 0.7496, 0.5013 , and 0.2522), J. Chem. Thermodyn., 1996, 28, 1153-1164. [all data]

Weber, 1989
Weber, L.A., Simple Apparatus for Vapor-Liquid Equilibrium Measurements with Data for the Binary Systems of Carbon Dioxide with n-Butane and Isobutane, J. Chem. Eng. Data, 1989, 34, 171. [all data]

Li and Kiran, 1988
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Efremova and Shvarts, 1972
Efremova, G.D.; Shvarts, A.V., Higher-order Critical Phenomena in Ternary Systems. The Methanol-Carbon Dioxide-Ethane System, Russ. J. Phys. Chem. (Engl. Transl.), 1972, 46, 237-239. [all data]

Andrizhievskii and Chernova, 1970
Andrizhievskii, A.A.; Chernova, N.I., Application of the Moving Meniscus Method in the Study of the Critical Phenomena in One-component Systems, Russ. J. Phys. Chem. (Engl. Transl.), 1970, 44, 1519. [all data]

Lowry and Erickson, 1927
Lowry, H.H.; Erickson, W.R., The Densities of Coexisting Liquid and Gaseous Carbon Dioxide and the Solubility of Water in Liquid Carbon Dioxide., J. Am. Chem. Soc., 1927, 49, 2729-2734. [all data]

Stephenson and Malanowski, 1987
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Boublík and Aim, 1972
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Giauque and Egan, 1937
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Bryson, Cazcarra, et al., 1974
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Ambrose, 1956
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Stull, 1947
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Giauque and Egan, 1937, 2
Giauque, W.F.; Egan, C.J., Carbon Dioxide. The Heat Capacity and Vapor Pressure of the Solid. The Heat of Sublimation. Thermodynamic and Spectroscopic Values of the Entropy, J. Chem. Phys., 1937, 5, 1, 45, https://doi.org/10.1063/1.1749929 . [all data]

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Hiraoka, K.; Nakajima, G.; Shoda, S., Determination of the Stabilities of CO2+(CO2)n and O2+(CO2)n Clusters with n = 1 - 6, Chem. Phys. Lett., 1988, 146, 6, 535, https://doi.org/10.1016/0009-2614(88)87495-5 . [all data]

Illies, 1988
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Rakshit and Warneck, 1981
Rakshit, A.B.; Warneck, P., Formation and Reactions of O2+.CO2, O2+.H2O and O2+(CO2)2 Ions, Int. J. Mass Spectrom Ion Phys., 1981, 40, 2, 135, https://doi.org/10.1016/0020-7381(81)80037-X . [all data]

Van Koppen, Kemper, et al., 1983
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Hiraoka, K.; Yamabe, S., Formation of the Chelate Bonds in the Cluster O2(-)(CO2)n, CO3(-)(CO2)n, and NO2(-)(CO2)n, J. Chem. Phys., 1992, 97, 1, 643, https://doi.org/10.1063/1.463560 . [all data]

Pack and Phelps, 1966
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Notes

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