Formaldehyde
- Formula: CH2O
- Molecular weight: 30.0260
- IUPAC Standard InChIKey: WSFSSNUMVMOOMR-UHFFFAOYSA-N
- CAS Registry Number: 50-00-0
- 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. - Isotopologues:
- Other names: Methanal; BFV; Fannoform; Formaldehyde, gas; Formalin; Formalith; Formic aldehyde; Formol; Fyde; Lysoform; Methyl aldehyde; Methylene oxide; Morbicid; Oxomethane; Oxymethylene; Paraform; Superlysoform; Karsan; Methaldehyde; Aldehyde formique; Aldeide formica; Formaldehyd; Formalin-loesungen; Formalina; Formaline; NCI-C02799; Oplossingen; Aldehyd mravenci; Formalin 40; Rcra waste number U122; UN 1198; UN 2209; H2CO; Durine; Hercules 37M6-8; CH2O; NSC 298885; Fordor
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Gas phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -115.90 | kJ/mol | Review | Chase, 1998 | Data last reviewed in March, 1961 |
ΔfH°gas | -108.6 ± 0.46 | kJ/mol | Cm | Fletcher and Pilcher, 1970 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -570.78 ± 0.42 | kJ/mol | Cm | Fletcher and Pilcher, 1970 | Corresponding ΔfHºgas = -108.6 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°gas | -561.1 | kJ/mol | Ccb | Wartenberg and Lerner-Steinberg, 1925 | Gas phase; Corresponding ΔfHºgas = -118. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 218.95 | J/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1961 |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
33.26 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. Recommended entropies and heat capacities are in good agreement with other statistically calculated values [ Thompson, 1941, Pillai M.G.K., 1961, Gurvich, Veyts, et al., 1989]. Please also see Chao J., 1980, Chao J., 1986.; GT |
33.26 | 100. | ||
33.28 | 150. | ||
33.50 | 200. | ||
34.70 | 273.15 | ||
35.39 ± 0.02 | 298.15 | ||
35.44 | 300. | ||
39.24 | 400. | ||
43.74 | 500. | ||
48.18 | 600. | ||
52.28 | 700. | ||
55.94 | 800. | ||
59.16 | 900. | ||
61.95 | 1000. | ||
64.37 | 1100. | ||
66.45 | 1200. | ||
68.25 | 1300. | ||
69.80 | 1400. | ||
71.15 | 1500. | ||
73.79 | 1750. | ||
75.68 | 2000. | ||
77.08 | 2250. | ||
78.13 | 2500. | ||
78.93 | 2750. | ||
79.56 | 3000. |
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 | 5.193767 | 71.35268 |
B | 93.23249 | 6.174497 |
C | -44.85457 | -1.191090 |
D | 7.882279 | 0.079564 |
E | 0.551175 | -15.58917 |
F | -119.3591 | -170.6327 |
G | 202.4663 | 262.3180 |
H | -115.8972 | -115.8972 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in March, 1961 | Data last reviewed in March, 1961 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, 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 |
---|---|---|---|---|---|
Tboil | 253.85 | K | N/A | Spence and Wild, 1935 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 181. | K | N/A | Anonymous, 1958 | Uncertainty assigned by TRC = 4. K; TRC |
Tfus | 181. | K | N/A | Harries, 1901 | Uncertainty assigned by TRC = 6. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 155.1 | K | N/A | Spence and Wild, 1935 | Uncertainty assigned by TRC = 0.3 K; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
24.3 | 236. | A | Stephenson and Malanowski, 1987 | Based on data from 184. to 251. K.; AC |
24.2 | 236. | N/A | Spence and Wild, 1935, 2 | Based on data from 173. to 251. K. See also Stephenson and Malanowski, 1987.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
163.76 to 250.86 | 4.28176 | 959.43 | -29.758 | Spence and Wild, 1935, 3 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.53 | 155. | Vasil'ev and Lebedev, 1998 | AC |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar
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
By formula: CH3O+ + CH2O = (CH3O+ • CH2O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 116. | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
ΔrH° | 123. | kJ/mol | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
ΔrH° | 116. | kJ/mol | ICR | Larson, Clair, et al., 1982 | gas phase; From thermochemical cycle,switching reaction(H2O/H2CO), Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 111. | J/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
ΔrS° | 115. | J/mol*K | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
ΔrS° | 111. | J/mol*K | N/A | Larson, Clair, et al., 1982 | gas phase; From thermochemical cycle,switching reaction(H2O/H2CO), Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 82.8 | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
ΔrG° | 82.8 | kJ/mol | ICR | Larson, Clair, et al., 1982 | gas phase; From thermochemical cycle,switching reaction(H2O/H2CO), Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984; M |
By formula: Li+ + CH2O = (Li+ • CH2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 151. | kJ/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M |
ΔrH° | 150. | kJ/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | N/A | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 118. | kJ/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M |
(CH3O- • 4294967295) + = CH3O-
By formula: (CH3O- • 4294967295CH2O) + CH2O = CH3O-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 166.9 ± 2.1 | kJ/mol | N/A | Nee, Osterwalder, et al., 2006 | gas phase; B |
ΔrH° | 171. ± 4.6 | kJ/mol | Ther | Osborn, Leahy, et al., 1998 | gas phase; B |
ΔrH° | 175. ± 9.2 | kJ/mol | Ther | Bartmess, Scott, et al., 1979 | gas phase; The acidity is 1.2 kcal/mol stronger than that from the D-EA cycle, due to the multi-compound fit for the acidity scale.; value altered from reference due to change in acidity scale; B |
CHO- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1650.7 ± 0.96 | kJ/mol | D-EA | Murray, Miller, et al., 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1617.7 ± 1.7 | kJ/mol | H-TS | Murray, Miller, et al., 1986 | gas phase; B |
ΔrG° | 1648. ± 19. | kJ/mol | IMRB | Karpas and Klein, 1975 | gas phase; B |
By formula: CH2N+ + CH2O = (CH2N+ • CH2O)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 91.2 | kJ/mol | FA | Tanaka, Mackay, et al., 1978 | gas phase; switching reaction(HCNH+)HCN; Meot-Ner (Mautner), 1978; M |
By formula: C3H9NO = C2H7N + CH2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 126. ± 0.8 | kJ/mol | Cm | Rogers and Rapiejko, 1974 | liquid phase; Heat of formation derived by 77PED/RYL; ALS |
By formula: C3H8O2 + H2O = CH2O + 2CH4O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 77.19 ± 0.50 | kJ/mol | Cm | Birley and Skinner, 1970 | liquid phase; Heat of hydrolysis; ALS |
By formula: CH2O + C3H8N2O = C4H10N2O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -20. ± 0.8 | kJ/mol | Kin | Perepelkova, Igranova, et al., 1981 | liquid phase; solvent: Phosphate buffer; ALS |
By formula: 2C2H7N + CH2O = C5H14N2 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -191. ± 3. | kJ/mol | Cm | Rogers and Rapiejko, 1974 | gas phase; ALS |
By formula: (Fe+ • 2CH2O) + CH2O = (Fe+ • 3CH2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 76.1 ± 4.2 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Fe+ • 3CH2O) + CH2O = (Fe+ • 4CH2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.2 ± 7.1 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Fe+ • CH2O) + CH2O = (Fe+ • 2CH2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 164. ± 4.2 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: C2H7N + CH2O = C3H9NO
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -126. ± 0.8 | kJ/mol | Cm | Rogers and Rapiejko, 1974 | gas phase; ALS |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -12.1 | kJ/mol | Eqk | Newton and Dodge, 1933 | gas phase; ALS |
By formula: Fe+ + CH2O = (Fe+ • CH2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 138. ± 7.1 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: Al+ + CH2O = (Al+ • CH2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 115. ± 10. | kJ/mol | EqG | Bouchard, Brenner, et al., 1997 | RCD |
By formula: C3H6O3 = 3CH2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 194.0 ± 2.5 | kJ/mol | Eqk | Busfield and Merigold, 1969 | solid phase; ALS |
By formula: 3CH2O = C3H6O3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -139.2 ± 2.1 | kJ/mol | Eqk | Busfield and Merigold, 1969 | gas phase; ALS |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, 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
L - 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
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to CH2O+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.88 ± 0.01 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 712.9 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 683.3 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°(+) ion | 941.8 | kJ/mol | N/A | N/A | |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH(+) ion,0K | 946.0 | kJ/mol | N/A | N/A |
Proton affinity at 298K
Proton affinity (kJ/mol) | Reference | Comment |
---|---|---|
711.5 ± 2.1 | Bouchoux and Leblanc, 2000 | T = 300K; MM |
Gas basicity at 298K
Gas basicity (review) (kJ/mol) | Reference | Comment |
---|---|---|
681.5 ± 0.7 | Bouchoux and Leblanc, 2000 | T = 300K; MM |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.88 | CI | Ohno, Okamura, et al., 1995 | LL |
10.8887 ± 0.0030 | PE | Niu, Shirley, et al., 1993 | LL |
10.86 | PI | Traeger, 1985 | LBLHLM |
10.88 | PE | Kimura, Katsumata, et al., 1981 | LLK |
10.9 | PE | Von Niessen, Bieri, et al., 1980 | LLK |
10.885 ± 0.005 | PE | Hernandez, Masclet, et al., 1977 | LLK |
10.874 ± 0.002 | S | Drury-Lessard and Moule, 1977 | LLK |
10.868 ± 0.005 | PI | Guyon, Chupka, et al., 1976 | LLK |
10.88 ± 0.02 | PI | Warneck, 1971 | LLK |
10.87 ± 0.01 | PI | Mentall, Gentieu, et al., 1971 | LLK |
10.88 ± 0.02 | PI | Matthews and Warneck, 1969 | RDSH |
10.884 | PE | Baker, Baker, et al., 1968 | RDSH |
10.86 ± 0.02 | EI | Kanomata, 1961 | RDSH |
10.90 ± 0.03 | PI | Vilesov, 1960 | RDSH |
10.87 ± 0.01 | PI | Watanabe, 1957 | RDSH |
10.88 ± 0.01 | S | Price, 1935 | RDSH |
10.1 | PE | Rao, 1975 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CHO+ | 11.97 | H | PI | Traeger, 1985 | LBLHLM |
CHO+ | 13.94 ± 0.40 | H | EI | Wankenne, Caprace, et al., 1984 | LBLHLM |
CHO+ | 11.92 ± 0.01 | H | PI | Guyon, Chupka, et al., 1976 | LLK |
CHO+ | 11.89 ± 0.03 | H | PI | Warneck, 1971 | LLK |
CHO+ | 11.95 ± 0.06 | H | PI | Matthews and Warneck, 1969 | RDSH |
CO+ | 14.10 ± 0.08 | H2 | PI | Guyon, Chupka, et al., 1976 | LLK |
CO+ | 18.7 ± 0.2 | ? | EI | Brand and Reed, 1957 | RDSH |
H+ | 17.41 ± 0.07 | CHO | PI | Warneck, 1971 | LLK |
H2+ | 15.42 ± 0.06 | CO | PI | Warneck, 1971 | LLK |
De-protonation reactions
CHO- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1650.7 ± 0.96 | kJ/mol | D-EA | Murray, Miller, et al., 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1617.7 ± 1.7 | kJ/mol | H-TS | Murray, Miller, et al., 1986 | gas phase; B |
ΔrG° | 1648. ± 19. | kJ/mol | IMRB | Karpas and Klein, 1975 | gas phase; B |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, 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:
RCD - Robert C. Dunbar
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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: Al+ + CH2O = (Al+ • CH2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 115. ± 10. | kJ/mol | EqG | Bouchard, Brenner, et al., 1997 | RCD |
By formula: CH2N+ + CH2O = (CH2N+ • CH2O)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 91.2 | kJ/mol | FA | Tanaka, Mackay, et al., 1978 | gas phase; switching reaction(HCNH+)HCN; Meot-Ner (Mautner), 1978; M |
By formula: CH3O+ + CH2O = (CH3O+ • CH2O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 116. | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
ΔrH° | 123. | kJ/mol | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
ΔrH° | 116. | kJ/mol | ICR | Larson, Clair, et al., 1982 | gas phase; From thermochemical cycle,switching reaction(H2O/H2CO), Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 111. | J/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
ΔrS° | 115. | J/mol*K | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
ΔrS° | 111. | J/mol*K | N/A | Larson, Clair, et al., 1982 | gas phase; From thermochemical cycle,switching reaction(H2O/H2CO), Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 82.8 | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
ΔrG° | 82.8 | kJ/mol | ICR | Larson, Clair, et al., 1982 | gas phase; From thermochemical cycle,switching reaction(H2O/H2CO), Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984; M |
(CH3O- • 4294967295) + = CH3O-
By formula: (CH3O- • 4294967295CH2O) + CH2O = CH3O-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 166.9 ± 2.1 | kJ/mol | N/A | Nee, Osterwalder, et al., 2006 | gas phase; B |
ΔrH° | 171. ± 4.6 | kJ/mol | Ther | Osborn, Leahy, et al., 1998 | gas phase; B |
ΔrH° | 175. ± 9.2 | kJ/mol | Ther | Bartmess, Scott, et al., 1979 | gas phase; The acidity is 1.2 kcal/mol stronger than that from the D-EA cycle, due to the multi-compound fit for the acidity scale.; value altered from reference due to change in acidity scale; B |
By formula: Fe+ + CH2O = (Fe+ • CH2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 138. ± 7.1 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Fe+ • CH2O) + CH2O = (Fe+ • 2CH2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 164. ± 4.2 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Fe+ • 2CH2O) + CH2O = (Fe+ • 3CH2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 76.1 ± 4.2 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Fe+ • 3CH2O) + CH2O = (Fe+ • 4CH2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.2 ± 7.1 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: Li+ + CH2O = (Li+ • CH2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 151. | kJ/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M |
ΔrH° | 150. | kJ/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | N/A | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 118. | kJ/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- GAS (HEATING PARAFORMALDEHYDE; CONCENTRATION UNKNOWN); PERKIN-ELMER 297; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- SOLUTION (UNKNOWN CONCENTRATION IN CCl4) VS. CCl4; PERKIN-ELMER 297; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
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
Spectrum
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Additional Data
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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. |
---|---|
Origin | H.M.B.BALLSCHMIETER NAT. FOOD RES. INST., PRETORIA, S AFRIC |
NIST MS number | 37883 |
Vibrational and/or electronic energy levels
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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: Takehiko Shimanouchi
Symmetry: C2ν Symmetry Number σ = 2
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | CH2 s-str | 2783 | A | 2782.5 S | gas | 2781.6 S | liq. | ||
a1 | 2 | CO str | 1746 | A | 1746.1 VS | gas | 1742.3 W | liq. | ||
a1 | 3 | CH2 scis | 1500 | A | 1500.1 S | gas | 1499.7 M | liq. | ||
b1 | 4 | CH2 a-str | 2843 | A | 2843.1 VS | gas | 2866 W | liq. | ||
b1 | 5 | CH2 rock | 1249 | A | 1249.1 S | gas | ||||
b2 | 6 | CH2 wag | 1167 | A | 1167.3 S | gas | ||||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
A | 0~1 cm-1 uncertainty |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Porapack Q | 200. | 284. | Goebel, 1982 | N2 |
Packed | SE-30 | 150. | 229. | Haken, Nguyen, et al., 1979 | Celatom AW silanized; Column length: 3.7 m |
Packed | Apiezon L | 160. | 249. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 273. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-1 | 247. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | SPB-1 | 247. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Solvation of the Proton by HCN and CH3CN. Condensation of HCN with Ions in the Gas Phase.,
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Enthalpies of hydrolysis of dimethoxymethane and 1,1-dimethoxyethane,
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Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH(+) ion,0K Enthalpy of formation of positive ion at 0K ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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