1-Propene, 2-methyl-
- Formula: C4H8
- Molecular weight: 56.1063
- IUPAC Standard InChIKey: VQTUBCCKSQIDNK-UHFFFAOYSA-N
- CAS Registry Number: 115-11-7
- 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: Propene, 2-methyl-; γ-Butylene; Isobutene; Isobutylene; Isopropylidenemethylene; 1,1-Dimethylethylene; 2-Methyl-1-propene; 2-Methylpropene; iso-C4H8; Methylpropene; UN 1055; 1,1-Dimethylethene; 2-Methylpropylene
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Gas phase thermochemistry data
Go To: Top, Phase change data, Henry's Law 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:
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 | -4.29 ± 0.26 | kcal/mol | Cm | Prosen, Maron, et al., 1951 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -645.19 ± 0.25 | kcal/mol | Cm | Prosen, Maron, et al., 1951 | Corresponding ΔfHºgas = -4.27 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°gas | -650.6 | kcal/mol | Ccb | Guinchant, 1918 | Corresponding ΔfHºgas = 1.1 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 70.170 | cal/mol*K | N/A | Stull D.R., 1969 | This value was obtained on the basis of calorimetric data [ Todd S.S., 1936]. Experimental value of S(298 K)=288.7 J/mol*K [ Todd S.S., 1936] could not be recommended because of its large uncertainty.; GT |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.528 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. Recommended values are in close agreement with other statistically calculated values [ Kilpatrick J.E., 1946] as well as with ab initio value of S(298.15 K)=293.37 J/mol*K [ East A.L.L., 1997].; GT |
10.98 | 100. | ||
13.58 | 150. | ||
16.09 | 200. | ||
19.77 | 273.15 | ||
21.05 | 298.15 | ||
21.15 | 300. | ||
26.240 | 400. | ||
30.915 | 500. | ||
35.010 | 600. | ||
38.564 | 700. | ||
41.659 | 800. | ||
44.357 | 900. | ||
46.714 | 1000. | ||
48.764 | 1100. | ||
50.550 | 1200. | ||
52.101 | 1300. | ||
53.454 | 1400. | ||
54.632 | 1500. | ||
56.977 | 1750. | ||
58.678 | 2000. | ||
59.940 | 2250. | ||
60.894 | 2500. | ||
61.623 | 2750. | ||
62.189 | 3000. |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
18.13 ± 0.091 | 239.15 | Scott R.B., 1945 | GT |
19.81 ± 0.098 | 272.15 | ||
21.91 ± 0.11 | 312.15 | ||
23.96 ± 0.12 | 353.15 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Henry's Law 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:
DH - Eugene S. Domalski and Elizabeth D. Hearing
BS - Robert L. Brown and Stephen E. Stein
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 | 266.7 ± 0.7 | K | AVG | N/A | Average of 25 out of 28 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 132.38 | K | N/A | Rabinovich and Lebedev, 1971 | DH |
Tfus | 132.45 | K | N/A | Kistiakowsky, Ruhoff, et al., 1935 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tfus | 125.4 | K | N/A | Coffin and Maass, 1928 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 132.4 | K | N/A | Todd and Parks, 1936 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 417.9 ± 0.1 | K | N/A | Tsonopoulos and Ambrose, 1996 | |
Tc | 417.88 | K | N/A | Beattie, Ingersoll, et al., 1942 | Uncertainty assigned by TRC = 0.1 K; TRC |
Tc | 420.15 | K | N/A | Coffin and Maass, 1928 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 39.48 ± 0.099 | atm | N/A | Tsonopoulos and Ambrose, 1996 | |
Pc | 39.4800 | atm | N/A | Beattie, Ingersoll, et al., 1942 | Uncertainty assigned by TRC = 0.09998 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.2388 | l/mol | N/A | Tsonopoulos and Ambrose, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 4.19 ± 0.010 | mol/l | N/A | Tsonopoulos and Ambrose, 1996 | |
ρc | 4.17 | mol/l | N/A | Beattie, Ingersoll, et al., 1942 | Uncertainty assigned by TRC = 0.05 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 4.92 | kcal/mol | N/A | Reid, 1972 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
5.52 | 264. | A | Stephenson and Malanowski, 1987 | Based on data from 212. to 279. K.; AC |
5.43 | 281. | A | Stephenson and Malanowski, 1987 | Based on data from 266. to 313. K.; AC |
5.31 | 325. | A | Stephenson and Malanowski, 1987 | Based on data from 310. to 376. K.; AC |
5.33 | 386. | A | Stephenson and Malanowski, 1987 | Based on data from 371. to 418. K.; AC |
5.31 | 350. | N/A | Beattie, Ingersoll, et al., 1942, 2 | Based on data from 303. to 398. K.; AC |
5.45 | 258. | N/A | Lamb and Roper, 1940 | Based on data from 216. to 273. K. See also Boublik, Fried, et al., 1984.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
216.40 to 273. | 3.64138 | 799.055 | -46.615 | Lamb and Roper, 1940 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.41 | 132.4 | Domalski and Hearing, 1996 | AC |
1.415 | 132.4 | Todd and Parks, 1936, 2 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.69 | 132.4 | Todd and Parks, 1936, 2 | DH |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, 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 by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.0048 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.0016 | L | N/A | ||
0.0057 | 3000. | L | N/A | |
0.0047 | V | N/A |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law 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
MM - Michael M. Meot-Ner (Mautner)
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 C4H8+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.22 ± 0.02 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 191.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 185.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Proton affinity at 298K
Proton affinity (kcal/mol) | Reference | Comment |
---|---|---|
191.8 ± 1.1 | Bouchoux and Salpin, 1999 | T = 300K; Re-evaluated thermokinetic parametric fitting by the authors using reference base GBs and PAs from Hunter and Lias, 1998; MM |
191.8 ± 1.1 | Bouchoux and Salpin, 1999 | T = 298K; MM |
192.4 ± 1.6 | Cleven, Hoke, et al., 1996 | PA > butyronitrile, < benzonitrile; MM |
Gas basicity at 298K
Gas basicity (review) (kcal/mol) | Reference | Comment |
---|---|---|
185.5 ± 0.65 | Bouchoux and Salpin, 1999 | T = 300K; Re-evaluated thermokinetic parametric fitting by the authors using reference base GBs and PAs from Hunter and Lias, 1998; MM |
185.5 ± 0.65 | Bouchoux and Salpin, 1999 | T = 298K; MM |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.19 | PI | Traeger, 1986 | LBLHLM |
9.24 ± 0.05 | EI | Holmes and Lossing, 1983 | LBLHLM |
9.24 ± 0.02 | PE | Bieri, Burger, et al., 1977 | LLK |
9.239 ± 0.003 | PE | Masclet, Grosjean, et al., 1973 | LLK |
9.19 | EI | Lossing, 1972 | LLK |
9.21 | PE | Frost and Sandhu, 1971 | LLK |
9.17 | PE | Dewar and Worley, 1969 | RDSH |
9.23 ± 0.02 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
9.23 | PI | Bralsford, Harris, et al., 1960 | RDSH |
9.41 | PE | Wiberg, Ellison, et al., 1976 | Vertical value; LLK |
9.39 | PE | Koenig, Balle, et al., 1975 | Vertical value; LLK |
9.45 | PE | Kimura, Katsumata, et al., 1975 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH3+ | 16.4 | C3H5 | EI | SenSharma and Franklin, 1973 | LLK |
C2H4+ | 12.0 ± 0.25 | ? | EI | Meisels, Park, et al., 1970 | RDSH |
C3H5+ | 11.33 | CH3 | PI | Traeger, 1984 | LBLHLM |
C3H5+ | 11.8 | CH3 | EI | SenSharma and Franklin, 1973 | LLK |
C3H5+ | 11.45 | CH3 | EI | Lossing, 1972 | LLK |
C4H6+ | 11.3 ± 0.1 | H2 | EI | Holmes, Weese, et al., 1977 | LLK |
C4H7+ | 11.26 | H | PI | Traeger, 1986 | LBLHLM |
C4H7+ | 11.41 | H | EI | Lossing, 1972 | LLK |
De-protonation reactions
C4H7- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 393.0 ± 1.8 | kcal/mol | Endo | Wenthold, Hu, et al., 1999 | gas phase; B |
ΔrH° | 387.0 ± 2.0 | kcal/mol | D-EA | Wenthold, Polak, et al., 1996 | gas phase; B |
ΔrH° | 390.3 ± 2.3 | kcal/mol | G+TS | Bartmess and Burnham, 1984 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 385.6 ± 1.9 | kcal/mol | H-TS | Wenthold, Hu, et al., 1999 | gas phase; B |
ΔrG° | 379.6 ± 2.1 | kcal/mol | H-TS | Wenthold, Polak, et al., 1996 | gas phase; B |
ΔrG° | 382.9 ± 2.2 | kcal/mol | IMRE | Bartmess and Burnham, 1984 | gas phase; B |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
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: C3H9Si+ + C4H8 = (C3H9Si+ • C4H8)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.5 | kcal/mol | PHPMS | Li and Stone, 1989 | gas phase; condensation; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 42.7 | cal/mol*K | PHPMS | Li and Stone, 1989 | gas phase; condensation; M |
By formula: H4N+ + C4H8 = (H4N+ • C4H8)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 35.0 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; condensation; M |
ΔrH° | 34.9 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1990 | gas phase; forms t-C4H9NH3+; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 37.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; condensation; M |
ΔrS° | 39.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1990 | gas phase; forms t-C4H9NH3+; M |
By formula: Li+ + C4H8 = (Li+ • C4H8)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28. | kcal/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M |
By formula: Na+ + C4H8 = (Na+ • C4H8)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
10.0 | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law 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.
Prosen, Maron, et al., 1951
Prosen, E.J.; Maron, F.W.; Rossini, F.D.,
Heats of combustion, formation, and insomerization of ten C4 hydrocarbons,
J. Res. NBS, 1951, 46, 106-112. [all data]
Guinchant, 1918
Guinchant, M.J.,
Etude sur la fonction acide dans les derives metheniques et methiniques,
Ann. Chem., 1918, 10, 30-84. [all data]
Stull D.R., 1969
Stull D.R., Jr.,
The Chemical Thermodynamics of Organic Compounds. Wiley, New York, 1969. [all data]
Todd S.S., 1936
Todd S.S.,
Thermal data on organic compounds. XV. Some heat capacity, entropy and free energy data for the isomeric butenes,
J. Am. Chem. Soc., 1936, 58, 134-137. [all data]
Thermodynamics Research Center, 1997
Thermodynamics Research Center,
Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]
Kilpatrick J.E., 1946
Kilpatrick J.E.,
Heat content, free energy function, entropy, and heat capacity of ethylene, propylene, and the four butenes to 1500 K,
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East A.L.L., 1997
East A.L.L.,
Ab initio statistical thermodynamical models for the computation of third-law entropies,
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Scott R.B., 1945
Scott R.B.,
Specific heats of gaseous 1,3-butadiene, isobutene, styrene, and ethylbenzene,
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Rabinovich and Lebedev, 1971
Rabinovich, I.B.; Lebedev, B.V.,
On the thermodynamic stability of polyisobutylene. Tr. Khim. Khim. Tekhnol., 1971, 194-196. [all data]
Kistiakowsky, Ruhoff, et al., 1935
Kistiakowsky, G.B.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E.,
Heats of Organic Reactions II. Hydrogenation of Some Simpler Olefinic Hydrocarbons,
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Coffin and Maass, 1928
Coffin, C.C.; Maass, O.,
The Preparation and Physical Properties of α-,β- and γ-Butylene and Normal and Isobutane,
J. Am. Chem. Soc., 1928, 50, 1427-37. [all data]
Todd and Parks, 1936
Todd, S.S.; Parks, G.S.,
Thermal Data on Organic Compounds XV. Some Heat Capacity, Entropy and Free Energy Data for the Isomeric Butenes,
J. Am. Chem. Soc., 1936, 58, 134. [all data]
Tsonopoulos and Ambrose, 1996
Tsonopoulos, C.; Ambrose, D.,
Vapor-Liquid Critical Properties of Elements and Compounds. 6. Unsaturated Aliphatic Hydrocarbons,
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Beattie, Ingersoll, et al., 1942
Beattie, J.A.; Ingersoll, H.G.; Stockmayer, W.H.,
Vapor Pressure and Critical Consants of Isobutene,
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Reid, 1972
Reid, Robert C.,
Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00,
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. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Beattie, Ingersoll, et al., 1942, 2
Beattie, James A.; Ingersoll, Henry G.; Stockmayer, Walter H.,
Vapor Pressures and Critical Constants of Isobutene,
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. [all data]
Lamb and Roper, 1940
Lamb, Arthur B.; Roper, Edwin E.,
The Vapor Pressures of Certain Unsaturated Hydrocarbons,
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. [all data]
Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E.,
The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
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. [all data]
Todd and Parks, 1936, 2
Todd, S.S.; Parks, G.S.,
Thermal data on organic compounds. XV. Some heat capacity, entropy and free energy data for the isomeric butenes,
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Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
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. [all data]
Bouchoux and Salpin, 1999
Bouchoux, J.; Salpin, J.Y.,
Re-evaluated gas-phase basicity and proton affinity data from the thermokinetic method,
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Cleven, Hoke, et al., 1996
Cleven, C.D.; Hoke, S.H.; Cooks, R.G.; Hrovat, D.A.; Smith, J.M.; Lee, M.S.; Borden, W.T.,
Effect of Olefin Pyramidalization on the Proton Affinity of Tricyclo[3.3.3.03,7]undec-3(7)-ene as Determined by ab Initio Calculations and Kinetic Method Measurements,
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Traeger, 1986
Traeger, J.C.,
Heat of formation for the 1-methylallyl cation by photoionization mass spectrometry,
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Holmes and Lossing, 1983
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The need for adequate thermochemical data for the interpretation of fragmentation mechanisms and ion structure assignments,
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Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P.,
Valence ionization enrgies of hydrocarbons,
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Masclet, Grosjean, et al., 1973
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Alkene ionization potentials. Part I. Quantitative determination of alkyl group structural effects,
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Lossing, 1972
Lossing, F.P.,
Free radicals by mass spectrometry. XLV. Ionization potentials and heats of formation of C3H3, C3H5, and C4H7 radicals and ions,
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Frost and Sandhu, 1971
Frost, D.C.; Sandhu, J.S.,
Ionization potentials of ethylene and some methyl-substituted ethylenes as determined by photoelectron spectroscopy,
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Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D.,
Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation,
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Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
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Bralsford, Harris, et al., 1960
Bralsford, R.; Harris, P.V.; Price, W.C.,
The effect of fluorine on the electronic spectra and ionization potentials of molecules,
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Wiberg, Ellison, et al., 1976
Wiberg, K.B.; Ellison, G.B.; Wendoloski, J.J.; Brundle, C.R.; Kuebler, N.A.,
Electronic states of organic molecules. 3. Photoelectron spectra of cycloalkenes and methylenecycloalkanes,
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Koenig, Balle, et al., 1975
Koenig, T.; Balle, T.; Snell, W.,
Helium(I) photoelectron spectra of organic radicals,
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Kimura, Katsumata, et al., 1975
Kimura, K.; Katsumata, S.; Yamazaki, T.; Wakabayashi, H.,
UV photoelectron spectra and sum rule consideration; out-of-plane orbitals of unsaturated compounds with planar-skeleton structure,
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SenSharma and Franklin, 1973
SenSharma, D.K.; Franklin, J.L.,
Heat of formation of free radicals by mass spectrometry,
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Meisels, Park, et al., 1970
Meisels, G.G.; Park, J.Y.; Giessner, B.G.,
Ionization and dissociation of C4H8 isomers,
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Traeger, 1984
Traeger, J.C.,
A study of the allyl cation thermochemistry by photoionization mass spectrometry,
Int. J. Mass Spectrom. Ion Processes, 1984, 58, 259. [all data]
Holmes, Weese, et al., 1977
Holmes, J.L.; Weese, G.M.; Blair, A.S.; Terlouw, J.K.,
Metastable ion studies IX-Thermochemistry and ion structures among fragmenting [C4H8]+ ions, an electron impact and field ionization investigation,
Org. Mass Spectrom., 1977, 12, 424. [all data]
Wenthold, Hu, et al., 1999
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Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas IE (evaluated) Recommended ionization energy Pc Critical pressure S°gas Entropy of gas at standard conditions T Temperature Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°gas Enthalpy of combustion of gas at standard conditions 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 ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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