1,3-Cyclopentadiene
- Formula: C5H6
- Molecular weight: 66.1011
- IUPAC Standard InChIKey: ZSWFCLXCOIISFI-UHFFFAOYSA-N
- CAS Registry Number: 542-92-7
- 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: Cyclopentadiene; Pentole; Pyropentylene; R-Pentine
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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 | 139. | kJ/mol | Chyd | Roth, Adamczak, et al., 1991 | ALS |
ΔfH°gas | 133.4 | kJ/mol | Eqk | Furuyama, Golden, et al., 1970 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -2960. ± 30. | kJ/mol | Ccb | Wassermann, 1935 | Corresponding ΔfHºgas = 130. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 274.47 | J/mol*K | N/A | Furuyama S., 1970 | This a second law entropy value was obtained from study of gas-phase equilibrium. The value of S(298.2 K)=270.3(4.2) J/mol*K was obtained from other equilibrium study [ Grant C.J., 1969].; GT |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
33.29 | 50. | Dorofeeva O.V., 1986 | Recommended S(T) values differ from other statistically calculated values [ Turnbull A.G., 1967, Furuyama S., 1970] up to 2.6 J/mol*K. Discrepancies in Cp(T) values amount to 1.3-4.3 J/mol*K. There is an excellent agreement between selected values of S(T) and Cp(T) and those obtained by ab initio calculation [ Karni M., 1991].; GT |
35.04 | 100. | ||
40.32 | 150. | ||
49.53 | 200. | ||
68.30 | 273.15 | ||
75.4 ± 2.0 | 298.15 | ||
75.89 | 300. | ||
103.30 | 400. | ||
126.45 | 500. | ||
145.03 | 600. | ||
160.04 | 700. | ||
172.41 | 800. | ||
182.77 | 900. | ||
191.55 | 1000. | ||
199.04 | 1100. | ||
205.47 | 1200. | ||
211.00 | 1300. | ||
215.77 | 1400. | ||
219.92 | 1500. |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
MS - José A. Martinho Simões
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1481. ± 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° | 1485. ± 12. | kJ/mol | G+TS | Cumming and Kebarle, 1978 | gas phase; B |
ΔrH° | 1495. ± 8.4 | kJ/mol | D-EA | Engelking and Lineberger, 1977 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1455. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 1459. ± 8.4 | kJ/mol | IMRE | Cumming and Kebarle, 1978 | gas phase; B |
By formula: C5H5- + C5H6 = (C5H5- • C5H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | <36.0 | kJ/mol | IMRB | Meot-ner, 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | <11. ± 4.2 | kJ/mol | IMRB | Meot-ner, 1988 | gas phase; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15. | 250. | PHPMS | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M |
By formula: C4H2O3 + C5H6 = C9H8O3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -104. ± 2. | kJ/mol | Cm | Breslauer and Kabakoff, 1974 | liquid phase; solvent: Dioxane; ALS |
ΔrH° | -107.9 | kJ/mol | Cm | Rogers and Quan, 1973 | liquid phase; Gas phase Diels-Alder; ALS |
By formula: 2H2 + C5H6 = C5H10
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -210.8 ± 0.84 | kJ/mol | Chyd | Kistiakowsky, Ruhoff, et al., 1936 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -212.8 ± 0.84 kJ/mol; At 355 °K; ALS |
By formula: Cl- + C5H6 = (Cl- • C5H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | <10.5 | kJ/mol | TDEq | French, Ikuta, et al., 1982 | gas phase; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
10. | 300. | PHPMS | French, Ikuta, et al., 1982 | gas phase; DG<; M |
By formula: C5H6 + C6N4 = C11H6N4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -112. | kJ/mol | Kin | Samuilov, Bukharov, et al., 1981 | liquid phase; solvent: Chorobenzene; ALS |
ΔrH° | -106.9 ± 2.9 | kJ/mol | Cm | Rogers, 1972 | liquid phase; ALS |
By formula: C7H8 = C5H6 + C2H2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 117.2 ± 2.1 | kJ/mol | Kin | Walsh and Wells, 1975 | gas phase; Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 118.7 ± 1.3 kJ/mol; ALS |
By formula: 2C5H6 (l) + Mg (cr) = C10H10Mg (cr) + H2 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -142.5 ± 2.9 | kJ/mol | RSC | Hull, Reid, et al., 1967 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS |
C8H6MoO3 (solution) + 3 (solution) = C18H15MoN3O3 (solution) +
(solution)
By formula: C8H6MoO3 (solution) + 3C4H4N2 (solution) = C18H15MoN3O3 (solution) + C5H6 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -69.9 ± 2.9 | kJ/mol | RSC | Nolan, Hoff, et al., 1985 | solvent: Pyridine; Reaction temperature: 323 K; MS |
By formula: C5H6 = C5H6
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -200. ± 2. | kJ/mol | Ciso | Roth, Klarner, et al., 1980 | liquid phase; solvent: Heptane; ALS |
By formula: C10H12 = 2C5H6
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 72.383 | kJ/mol | Cm | Baur and Frater, 1941 | gas phase; Heat of dissociation; ALS |
By formula: 2HI + C5H6 = C5H8 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -89.5 | kJ/mol | Eqk | Furuyama, Golden, et al., 1970 | gas phase; ALS |
By formula: C7H10 = C5H6 + C2H4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 97.2 ± 2.5 | kJ/mol | Eqk | Walsh and Wells, 1976 | gas phase; ALS |
By formula: C11H6N4 = C5H6 + C6N4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 106.9 ± 2.9 | kJ/mol | Cm | Rogers, 1972 | solid phase; ALS |
By formula: C5H6 + C2H2 = C7H8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -117. ± 2. | kJ/mol | Eqk | Walsh and Wells, 1975 | gas phase; ALS |
By formula: 2C5H6 = C10H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -195.1 | kJ/mol | Eqk | Lenz and Vaughan, 1989 | gas phase; ALS |
2 = C10H12
By formula: 2C5H6 = C10H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -195.7 | kJ/mol | Eqk | Lenz and Vaughan, 1989 | gas phase; ALS |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, 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
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 C5H6+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 8.57 ± 0.01 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 821.6 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 798.4 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Proton affinity at 298K
Proton affinity (kJ/mol) | Reference | Comment |
---|---|---|
828.0 | Aue, Guidoni, et al., 2000 | Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM |
Gas basicity at 298K
Gas basicity (review) (kJ/mol) | Reference | Comment |
---|---|---|
798.3 | Aue, Guidoni, et al., 2000 | Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.44 | PE | Kiselev, Sakhabutdinov, et al., 1992 | LL |
8.58 ± 0.02 | PE | Bieri, Burger, et al., 1977 | LLK |
8.56 ± 0.01 | EI | Holmes and McGillivray, 1971 | LLK |
8.57 ± 0.01 | PI | Derrick, Asbrink, et al., 1971 | LLK |
8.57 ± 0.01 | PI | Demeo and El-Sayed, 1970 | RDSH |
9.0 | EI | Hedaya, Kent, et al., 1968 | RDSH |
8.55 | PI | Dewar and Worley, 1968 | RDSH |
8.53 | PE | Kiselev, Sakhabutdinov, et al., 1992 | Vertical value; LL |
8.61 | PE | Bock and Kaim, 1980 | Vertical value; LLK |
8.6 | PE | Cradock, Ebsworth, et al., 1975 | Vertical value; LLK |
8.56 | PE | Cradock, Findlay, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C5H5+ | 12.62 | H | EI | Occolowitz and White, 1968 | RDSH |
C5H5+ | 12.9 | H | EI | Harrison, Haynes, et al., 1965 | RDSH |
C5H5+ | 11.9 ± 0.5 | H | EI | Dorman, 1965 | RDSH |
C5H5+ | 12.6 | H | EI | Harrison, Honnen, et al., 1960 | RDSH |
De-protonation reactions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1481. ± 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° | 1485. ± 12. | kJ/mol | G+TS | Cumming and Kebarle, 1978 | gas phase; B |
ΔrH° | 1495. ± 8.4 | kJ/mol | D-EA | Engelking and Lineberger, 1977 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1455. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 1459. ± 8.4 | kJ/mol | IMRE | Cumming and Kebarle, 1978 | gas phase; B |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: C5H5- + C5H6 = (C5H5- • C5H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | <36.0 | kJ/mol | IMRB | Meot-ner, 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | <11. ± 4.2 | kJ/mol | IMRB | Meot-ner, 1988 | gas phase; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15. | 250. | PHPMS | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M |
By formula: Cl- + C5H6 = (Cl- • C5H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | <10.5 | kJ/mol | TDEq | French, Ikuta, et al., 1982 | gas phase; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
10. | 300. | PHPMS | French, Ikuta, et al., 1982 | gas phase; DG<; M |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Reaction 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 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 |
---|---|---|---|---|---|
Capillary | OV-101 | 100. | 545. | Diez, Guillen, et al., 1990 | N2; Column length: 25. m; Column diameter: 0.23 mm |
Capillary | OV-101 | 80. | 542. | Diez, Guillen, et al., 1990 | N2; Column length: 25. m; Column diameter: 0.23 mm |
Capillary | Squalane | 100. | 534.7 | Diez, Guillen, et al., 1990 | N2; Column length: 45. m; Column diameter: 0.5 mm |
Capillary | Squalane | 80. | 510.5 | Diez, Guillen, et al., 1990 | N2; Column length: 45. m; Column diameter: 0.5 mm |
Capillary | SE-54 | 100. | 552.5 | Diez, Guillen, et al., 1990 | N2; Column length: 25. m; Column diameter: 0.22 mm |
Capillary | SE-54 | 80. | 549.5 | Diez, Guillen, et al., 1990 | N2; Column length: 25. m; Column diameter: 0.22 mm |
Packed | Squalane | 70. | 527. | Safina, Poznyak, et al., 1989 | He, Risorb (0.2-0.3 mm); Column length: 2. m |
Capillary | Squalane | 50. | 521.7 | Papazova, Milina, et al., 1988 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | BP-1 | 100. | 543. | Bermejo, Blanco, et al., 1987 | N2; Column length: 12. m; Column diameter: 0.22 mm |
Capillary | BP-1 | 80. | 541. | Bermejo, Blanco, et al., 1987 | N2; Column length: 12. m; Column diameter: 0.22 mm |
Capillary | OV-101 | 100. | 545. | Bermejo, Blanco, et al., 1987 | N2; Column length: 25. m; Column diameter: 0.23 mm |
Capillary | OV-101 | 80. | 542. | Bermejo, Blanco, et al., 1987 | N2; Column length: 25. m; Column diameter: 0.23 mm |
Capillary | Squalane | 64. | 523. | Sojak, Ruman, et al., 1987 | 50. m/0.25 mm/0.25 μm, H2 |
Capillary | SE-30 | 130. | 546. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | SE-30 | 80. | 540. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | Squalane | 50. | 521.8 | Bajus, Veselý, et al., 1979 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 521.6 | Bajus, Veselý, et al., 1979, 2 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | Squalane | 27. | 518. | Bogoslovsky, Anvaer, et al., 1978 | |
Packed | Squalane | 49. | 521. | Bogoslovsky, Anvaer, et al., 1978 | |
Packed | Squalane | 67. | 527. | Bogoslovsky, Anvaer, et al., 1978 | |
Packed | Squalane | 86. | 530. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 40. | 520.6 | Stopp, Engewald, et al., 1978 | Column length: 70. m; Column diameter: 0.23 mm |
Capillary | Squalane | 27. | 516.61 | Schomburg and Dielmann, 1973 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | Squalane | 27. | 519. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 522. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 528. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 530. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH-100 | 538.1 | Haagen-Smit Laboratory, 1997 | He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min) |
Capillary | DB-1 | 533. | Hoekman, 1993 | 60. m/0.32 mm/1.0 μm, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Carbowax 20M | 64. | 745.7 | Sojak, Ruman, et al., 1987 | 50. m/0.25 mm/0.25 μm, H2 |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 735. | Umano and Shibamoto, 1987 | He, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Methyl Silicone | 50. | 522. | N/A | N2; Column length: 74.6 m; Column diameter: 0.28 mm |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 528. | Bramston-Cook, 2013 | 60. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min |
Capillary | PONA | 525. | Zhang, Ding, et al., 2009 | 50. m/0.20 mm/0.50 μm, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Squalane | 523. | Chen, 2008 | Program: not specified |
Capillary | PONA | 538. | Perkin Elmer Instruments, 2002 | Column length: 100. m; Phase thickness: 0.50 μm; Program: not specified |
Capillary | OV-101 | 530. | Zenkevich, 1998 | He; Column length: 25. m; Column diameter: 0.20 mm; Program: not specified |
Capillary | OV-101 | 535. | Zenkevich, 1998 | He; Column length: 25. m; Column diameter: 0.20 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 540. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 97.2 | Shao, Wang, et al., 2006 | 30. m/0.3 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min, 200. C @ 15. min |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Roth, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R.,
Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld,
Chem. Ber., 1991, 124, 2499-2521. [all data]
Furuyama, Golden, et al., 1970
Furuyama, S.; Golden, D.M.; Benson, S.W.,
Thermochemistry of cyclopentene and cyclopentadiene from studies of gas-phase equilibria,
J. Chem. Thermodyn., 1970, 2, 161-169. [all data]
Wassermann, 1935
Wassermann, A.,
The mechanism of additions to double bonds. Part I. Thermochemistry and kinetics of a diene synthesis,
J. Chem. Soc., 1935, 828-838. [all data]
Furuyama S., 1970
Furuyama S.,
Thermochemistry of cyclopentene and cyclopentadiene from studies of gas-phase equilibria,
J. Chem. Thermodyn., 1970, 2, 161-169. [all data]
Grant C.J., 1969
Grant C.J.,
Reversibility in the gas-phase decomposition of cyclopentene. The entropy of cyclopentadiene,
J. Chem. Soc. Chem. Comm., 1969, 667-668. [all data]
Dorofeeva O.V., 1986
Dorofeeva O.V.,
Thermodynamic properties of twenty-one monocyclic hydrocarbons,
J. Phys. Chem. Ref. Data, 1986, 15, 437-464. [all data]
Turnbull A.G., 1967
Turnbull A.G.,
Thermochemistry of biscyclopentadienyl metal compounds,
Austral. J. Chem., 1967, 20, 2059-2067. [all data]
Karni M., 1991
Karni M.,
Ab initio calculations and ideal gas thermodynamic functions of cyclopentadiene and cyclopentadiene derivatives,
J. Phys. Chem. Ref. Data, 1991, 20, 665-683. [all data]
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
J. Am. Chem. Soc., 1979, 101, 6047. [all data]
Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P.,
Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A),
Can. J. Chem., 1978, 56, 1. [all data]
Engelking and Lineberger, 1977
Engelking, P.C.; Lineberger, W.C.,
Laser photoelectron spectrometry of C5H5-: A determination of the electron affinity and Jahn-Teller coupling in cyclopentadienyl,
J. Chem. Phys., 1977, 67, 1412. [all data]
Meot-ner, 1988
Meot-ner, M.,
The Ionic Hydrogen Bond and Solvation. 7. Interaction Energies of Carbanions with Solvent Molecules,
J. Am. Chem. Soc., 1988, 110, 12, 3858, https://doi.org/10.1021/ja00220a022
. [all data]
Breslauer and Kabakoff, 1974
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Enthalpy of the Diels-Alder reaction of cyclopentadiene and maleic anhydride,
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Notes
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- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas IE (evaluated) Recommended ionization energy S°gas Entropy of gas at standard conditions T Temperature ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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