Pyrrole
- Formula: C4H5N
- Molecular weight: 67.0892
- IUPAC Standard InChIKey: KAESVJOAVNADME-UHFFFAOYSA-N
- CAS Registry Number: 109-97-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 1H-Pyrrole; Azole; Divinylenimine; Imidole; Monopyrrole; Pyrrol; 1-Aza-2,4-cyclopentadiene; Divinyleneimine; Parzate; NSC 62777
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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Gas phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics data, Ion clustering 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 143.2 | kJ/mol | N/A | Zaheeruddin and Lodhi, 1991 | Value computed using ΔfHliquid° value of 98.0 kj/mol from Zaheeruddin and Lodhi, 1991 and ΔvapH° value of 45.2 kj/mol from Scott, Berg, et al., 1967.; DRB |
ΔfH°gas | 108.3 ± 0.50 | kJ/mol | Ccb | Scott, Berg, et al., 1967 | ALS |
Phase change data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 403. ± 1. | K | AVG | N/A | Average of 15 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 250.15 | K | N/A | Rosso and Carbonnel, 1973 | Uncertainty assigned by TRC = 0.6 K; TRC |
Tfus | 254.7 | K | N/A | Timmermans and Hennaut-Roland, 1955 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 249.7 | K | N/A | Anonymous, 1942 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 238.8 | K | N/A | Milazzo, 1941 | Uncertainty assigned by TRC = 0.4 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 249.7300 | K | N/A | Scott, Berg, et al., 1967, 2 | Uncertainty assigned by TRC = 0.07 K; by extrapolation of 1/f to zero; TRC |
Ttriple | 249.74 | K | N/A | Helm, Lanum, et al., 1958 | Uncertainty assigned by TRC = 0.03 K; measured in calorimeter at U.S. Bur. Mines, Bartlesville, OK; TRC |
Ttriple | 249.74 | K | N/A | McCullough and Waddington, 1957 | Uncertainty assigned by TRC = 0.06 K; IPTS-48, from freezing curve; TRC |
Ttriple | 249.74 | K | N/A | McCullough and Waddington, 1957 | Uncertainty assigned by TRC = 0.06 K; IPTS-48, from heating curve; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 639.8 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 639.7 | K | N/A | Cheng, McCoubrey, et al., 1962 | Uncertainty assigned by TRC = 1.5 K; extrapolated to zero time to correct for decomposition cal. vs NPL thermometer.; TRC |
Tc | 625.15 | K | N/A | Glaser and Ruland, 1957 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 56.742 | bar | N/A | Glaser and Ruland, 1957 | Uncertainty assigned by TRC = 3.0398 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 43. ± 6. | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
38.75 | 403. | N/A | Majer and Svoboda, 1985 | |
42.5 | 300. | N/A | Kimizuka and Szydlowski, 1992 | Based on data from 285. to 329. K.; AC |
42.5 | 353. | A,EB,IP | Stephenson and Malanowski, 1987 | Based on data from 338. to 440. K. See also Osborn and Douslin, 1968 and Scott, Berg, et al., 1967.; AC |
41.9 | 328. | I | Eon, Pommier, et al., 1971 | Based on data from 313. to 373. K.; AC |
41.9 | 348. | N/A | Stull, 1947 | Based on data from 333. to 373. K.; AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kJ/mol)
Tr = reduced temperature (T / Tc)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A (kJ/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
362. to 403. | 62.7 | 0.2964 | 639.8 | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
333.4 to 373.5 | 5.32091 | 2074.447 | -9.186 | Eon, Pommier, et al., 1971 | Coefficents calculated by NIST from author's data. |
338.82 to 439.26 | 4.42765 | 1506.877 | -62.155 | Osborn and Douslin, 1968 |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.9078 | 249.74 | Scott, Berg, et al., 1967 | DH |
7.91 | 249.7 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
31.66 | 249.74 | Scott, Berg, et al., 1967 | DH |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Ion clustering data, 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
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 8.207 ± 0.005 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 875.4 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 843.8 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.02 | PE | Klasinc, Sabljic, et al., 1982 | LBLHLM |
8.02 | PE | Galasso, Klasinc, et al., 1981 | LLK |
8.21 | PE | Willett and Baer, 1980 | LLK |
8.4 ± 0.1 | CEMS | Tedder and Vidaud, 1980 | LLK |
8.207 ± 0.003 | PI | Cooper, Williamson, et al., 1980 | LLK |
8.208 ± 0.005 | PI | Williamson, Compton, et al., 1979 | LLK |
~8.1 | EI | Van Veen, 1976 | LLK |
8.22 ± 0.05 | EI | Thorstad and Undheim, 1974 | LLK |
8.40 ± 0.05 | EI | Linda, Marino, et al., 1971 | LLK |
8.209 | PE | Derrick, Asbrink, et al., 1971 | LLK |
8.209 | S | Derrick, Asbrink, et al., 1971 | LLK |
8.20 ± 0.01 | PI | Potapov and Yuzhakova, 1970 | RDSH |
8.20 ± 0.01 | PI | Potapov and Bazhenov, 1970 | RDSH |
8.20 ± 0.01 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
8.23 | PE | Cradock, Findlay, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH2N+ | 12.40 | ? | PI | Willett and Baer, 1980 | LLK |
CH2N+ | 12.1 ± 0.2 | C3H3 | CEMS | Tedder and Vidaud, 1980 | LLK |
C2H3+ | 13.60 | ? | PI | Willett and Baer, 1980 | LLK |
C2H3N+ | 11.75 | C2H2 | EI | Sakurai and Jennings, 1981 | LLK |
C2H3N+ | 11.75 | ? | PI | Willett and Baer, 1980 | LLK |
C3H2N+ | 12.50 | ? | PI | Willett and Baer, 1980 | LLK |
C3H3+ | 12.60 | ? | PI | Willett and Baer, 1980 | LLK |
C3H4+ | 12.00 | ? | PI | Willett and Baer, 1980 | LLK |
C3H4+ | 12.5 ± 0.2 | CHN | CEMS | Tedder and Vidaud, 1980 | LLK |
C4H4N+ | 12.85 | H | PI | Willett and Baer, 1980 | LLK |
De-protonation reactions
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; B |
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; B |
ΔrH° | 1505. ± 12. | kJ/mol | G+TS | Cumming and Kebarle, 1978 | gas phase; B |
ΔrH° | 1500. ± 21. | kJ/mol | EIAE | Muftakhov, Vasil'ev, et al., 1999 | gas phase; B |
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; B |
ΔrG° | 1472. ± 8.4 | kJ/mol | IMRE | Cumming and Kebarle, 1978 | gas phase; B |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics 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:
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+ + C4H5N = (Al+ • C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 184. | kJ/mol | RAK | Gapeev and Yang, 2000 | RCD |
By formula: CH6N+ + C4H5N = (CH6N+ • C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 77.8 | kJ/mol | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 87.9 | J/mol*K | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; M |
By formula: CN- + C4H5N = (CN- • C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 97.9 ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988 | gas phase; B,M |
ΔrH° | 82. ± 15. | kJ/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 113. | J/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
ΔrS° | 99.6 | J/mol*K | N/A | Larson and McMahon, 1987 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 64.0 ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988 | gas phase; B |
ΔrG° | 51.5 ± 9.6 | kJ/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
By formula: C2H3O2- + C4H5N = (C2H3O2- • C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 100. ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 105. | J/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 69.0 ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988 | gas phase; B |
By formula: (C2H3O2- • C4H5N) + C4H5N = (C2H3O2- • 2C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 74.9 | kJ/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 101. | J/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
By formula: C4H4N- + C4H5N = (C4H4N- • C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 111. ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 147. | J/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 68.2 ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
By formula: (C4H4N- • C4H5N) + C4H5N = (C4H4N- • 2C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 71.5 | kJ/mol | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 131. | J/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
By formula: C4H5N+ + C4H5N = (C4H5N+ • C4H5N)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 69.0 | kJ/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84.9 | J/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
By formula: (C4H5N+ • C4H5N) + C4H5N = (C4H5N+ • 2C4H5N)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 57.7 | kJ/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 122. | J/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
By formula: C4H6N+ + C4H5N = (C4H6N+ • C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 70.3 | kJ/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 103. | J/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
By formula: (C4H6N+ • C4H5N) + C4H5N = (C4H6N+ • 2C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.5 | kJ/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 127. | J/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
By formula: Cl- + C4H5N = (Cl- • C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 78.7 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1984 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 49.4 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1984 | gas phase; B |
ΔrG° | 58.58 | kJ/mol | TDEq | French, Ikuta, et al., 1982 | gas phase; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
48.5 | 421. | PHPMS | French, Ikuta, et al., 1982 | gas phase; M |
By formula: Co+ + C4H5N = (Co+ • C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >280. | kJ/mol | RAK | Gapeev and Yang, 2000 | RCD |
By formula: (Co+ • C4H5N) + C4H5N = (Co+ • 2C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 194. | kJ/mol | RAK | Gapeev and Yang, 2000 | RCD |
By formula: Cr+ + C4H5N = (Cr+ • C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 178. | kJ/mol | RAK | Gapeev and Yang, 2000 | RCD |
By formula: (Cr+ • C4H5N) + C4H5N = (Cr+ • 2C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 146. | kJ/mol | RAK | Gapeev and Yang, 2000 | RCD |
By formula: Cu+ + C4H5N = (Cu+ • C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 247. | kJ/mol | RAK | Gapeev and Yang, 2000 | RCD |
By formula: (Cu+ • C4H5N) + C4H5N = (Cu+ • 2C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 184. | kJ/mol | RAK | Gapeev and Yang, 2000 | RCD |
By formula: F- + C4H5N = (F- • C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 143. ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1983 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 107. | J/mol*K | N/A | Larson and McMahon, 1983 | gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 111. ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1983 | gas phase; B,M |
By formula: Fe+ + C4H5N = (Fe+ • C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 226. | kJ/mol | RAK | Gapeev and Yang, 2000 | RCD |
By formula: (Fe+ • C4H5N) + C4H5N = (Fe+ • 2C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 174. | kJ/mol | RAK | Gapeev and Yang, 2000 | RCD |
By formula: HS- + C4H5N = (HS- • C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 96.2 ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 102. | J/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 65.7 ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988 | gas phase; B |
By formula: K+ + C4H5N = (K+ • C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 83.7 ± 4.2 | kJ/mol | CIDT | Huang and Rodgers, 2002 | RCD |
By formula: Li+ + C4H5N = (Li+ • C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 177. ± 17. | kJ/mol | CIDT | Huang and Rodgers, 2002 | RCD |
By formula: Mg+ + C4H5N = (Mg+ • C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 184. | kJ/mol | RAK | Gapeev and Yang, 2000 | RCD |
By formula: Mn+ + C4H5N = (Mn+ • C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 177. | kJ/mol | RAK | Gapeev and Yang, 2000 | RCD |
By formula: (Mn+ • C4H5N) + C4H5N = (Mn+ • 2C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 113. | kJ/mol | RAK | Gapeev and Yang, 2000 | RCD |
By formula: Mo+ + C4H5N = (Mo+ • C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >290. | kJ/mol | RAK | Gapeev and Yang, 2000 | RCD |
By formula: Na+ + C4H5N = (Na+ • C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 102. ± 4.6 | kJ/mol | CIDT | Huang and Rodgers, 2002 | RCD |
By formula: Ni+ + C4H5N = (Ni+ • C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >280. | kJ/mol | RAK | Gapeev and Yang, 2000 | RCD |
By formula: (Ni+ • C4H5N) + C4H5N = (Ni+ • 2C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 197. | kJ/mol | RAK | Gapeev and Yang, 2000 | RCD |
By formula: V+ + C4H5N = (V+ • C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >170. | kJ/mol | RAK | Gapeev and Yang, 2000 | RCD |
By formula: W+ + C4H5N = (W+ • C4H5N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >210. | kJ/mol | RAK | Gapeev and Yang, 2000 | RCD |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Zaheeruddin and Lodhi, 1991
Zaheeruddin, M.; Lodhi, Z.H.,
Enthalpies of formation of some cyclic compounds,
Phys. Chem. (Peshawar Pak.), 1991, 10, 111-118. [all data]
Scott, Berg, et al., 1967
Scott, D.W.; Berg, W.T.; Hossenlopp, I.A.; Hubbard, W.N.; Messerly, J.F.; Todd, S.S.; Douslin, D.R.; McCullough, J.P.; Waddington, G.,
Pyrrole: Chemical thermodynamic properties,
J. Phys. Chem., 1967, 71, 2263-2270. [all data]
Rosso and Carbonnel, 1973
Rosso, M.J.-C.; Carbonnel, L.,
Hydrates + cubic clathrates generated by the nitrogenous meterocycles: the binary systems water + propylene imine and water + pyrrole,
C. R. Seances Acad. Sci., Ser. C, 1973, 277, 259. [all data]
Timmermans and Hennaut-Roland, 1955
Timmermans, J.; Hennaut-Roland, M.,
Work of the International Bureau of Physical-Chemical Standards. IX. The Physical Constants of Twenty Organic Compounds,
J. Chim. Phys. Phys.-Chim. Biol., 1955, 52, 223. [all data]
Anonymous, 1942
Anonymous, R.,
, Am. Pet. Inst. Res. Proj. 6, Natl. Bur. Stand., 1942. [all data]
Milazzo, 1941
Milazzo, G.,
Boll. Sci. Facolta Chim. Ind. Bologna, 1941, 94. [all data]
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Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy Pc Critical pressure T Temperature Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy 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 ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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