Butane, 2-methyl-
- Formula: C5H12
- Molecular weight: 72.1488
- IUPAC Standard InChIKey: QWTDNUCVQCZILF-UHFFFAOYSA-N
- CAS Registry Number: 78-78-4
- 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: iso-Pentane; 1,1,2-Trimethylethane; 2-Methylbutane; iso-C5H12; Ethyldimethylmethane; Isoamylhydride; Exxsol isopentane S; 1,1-Dimethylpropane; Methylbutane; NSC 119476
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Gas phase thermochemistry data
Go To: Top, 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:
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 | -153.7 ± 0.59 | kJ/mol | Ccb | Good, 1970 | ALS |
ΔfH°gas | -154.1 ± 0.96 | kJ/mol | Cm | Pilcher and Chadwick, 1967 | ALS |
ΔfH°gas | -154.5 ± 0.84 | kJ/mol | Ccb | Prosen and Rossini, 1945 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -3528.4 ± 0.92 | kJ/mol | Cm | Pilcher and Chadwick, 1967 | Corresponding ΔfHºgas = -154.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°gas | -3528.6 ± 0.63 | kJ/mol | Cm | Knowlton and Rossini, 1939 | Corresponding ΔfHºgas = -153.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°gas | -3527.6 ± 3.5 | kJ/mol | Ccb | Roth and Pahlke, 1936 | Reanalyzed by Cox and Pilcher, 1970, Original value = -3529.0 kJ/mol; Corresponding ΔfHºgas = -155.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
84.94 | 200. | Scott D.W., 1974 | Recommended values were obtained from the consistent correlation scheme for alkanes [ Scott D.W., 1974, 2, Scott D.W., 1974]. This approach gives a better agreement with experimental data than the statistical thermodynamics calculations [ Pitzer K.S., 1946, Scott D.W., 1951].; GT |
110.37 | 273.15 | ||
118.9 ± 0.4 | 298.15 | ||
119.50 | 300. | ||
152.88 | 400. | ||
183.26 | 500. | ||
210.04 | 600. | ||
233.05 | 700. | ||
253.13 | 800. | ||
270.70 | 900. | ||
286.19 | 1000. | ||
299.57 | 1100. | ||
311.29 | 1200. | ||
322.17 | 1300. | ||
330.54 | 1400. | ||
338.90 | 1500. |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
125.31 ± 0.37 | 317.20 | Scott D.W., 1951 | GT |
139.12 ± 0.42 | 358.15 | ||
153.64 ± 0.46 | 402.30 | ||
168.36 ± 0.51 | 449.20 | ||
179.62 ± 0.54 | 487.05 |
Phase change data
Go To: Top, Gas phase thermochemistry 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:
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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 301.1 ± 0.2 | K | AVG | N/A | Average of 67 out of 76 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 113. ± 1. | K | AVG | N/A | Average of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 113.37 | K | N/A | Guthrie and Huffman, 1943 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 113.39 | K | N/A | Schumann, Aston, et al., 1942 | Uncertainty assigned by TRC = 0.05 K; TRC |
Ttriple | 112.6 | K | N/A | Parks, Huffman, et al., 1930 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 461. ± 5. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 33.8 ± 0.5 | bar | N/A | Daubert, 1996 | |
Pc | 33.81 | bar | N/A | Das, Reed, et al., 1977 | Uncertainty assigned by TRC = 0.5066 bar; TRC |
Pc | 34.106 | bar | N/A | Vohra and Kobe, 1959 | Uncertainty assigned by TRC = 0.1013 bar; TRC |
Pc | 33.355 | bar | N/A | Young, 1910 | Uncertainty assigned by TRC = 0.667 bar; TRC |
Pc | 32.70 | bar | N/A | Altschul, 1893 | Uncertainty assigned by TRC = 0.9807 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.306 | l/mol | N/A | Daubert, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.27 ± 0.05 | mol/l | N/A | Daubert, 1996 | |
ρc | 3.247 | mol/l | N/A | Holcomb, Magee, et al., 1995 | Uncertainty assigned by TRC = 0.06 mol/l; TRC |
ρc | 3.27 | mol/l | N/A | Das, Reed, et al., 1977 | Uncertainty assigned by TRC = 0.03 mol/l; TRC |
ρc | 3.27 | mol/l | N/A | Vohra and Kobe, 1959 | Uncertainty assigned by TRC = 0.1 mol/l; TRC |
ρc | 3.247 | mol/l | N/A | Young, 1910 | Uncertainty assigned by TRC = 0.06 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 25.22 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 24.8 | kJ/mol | N/A | Reid, 1972 | AC |
ΔvapH° | 24.8 ± 0.1 | kJ/mol | V | Scott, McCullough, et al., 1951 | flow calorimeter and metal cycling vaporizer; ALS |
ΔvapH° | 25.0 | kJ/mol | C | Schumann, Aston, et al., 1942, 2 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
24.69 | 301. | N/A | Majer and Svoboda, 1985 | |
24.832 | 293.95 | N/A | Schumann, Aston, et al., 1942, 2 | P = 79.15 kPa; DH |
26.9 | 270. | N/A | Ewing and Goodwin, 1991 | Based on data from 255. to 323. K.; AC |
28.5 | 231. | A | Stephenson and Malanowski, 1987 | Based on data from 216. to 323. K.; AC |
25.2 | 315. | A | Stephenson and Malanowski, 1987 | Based on data from 300. to 460. K.; AC |
25.2 | 335. | A | Stephenson and Malanowski, 1987 | Based on data from 320. to 391. K.; AC |
24.8 | 400. | A | Stephenson and Malanowski, 1987 | Based on data from 385. to 416. K.; AC |
25.3 | 427. | A | Stephenson and Malanowski, 1987 | Based on data from 412. to 460. K.; AC |
24.4 | 310. | N/A | Das, Reed, et al., 1977, 2 | AC |
21.5 | 350. | N/A | Das, Reed, et al., 1977, 2 | AC |
18.0 | 390. | N/A | Das, Reed, et al., 1977, 2 | AC |
12.9 | 430. | N/A | Das, Reed, et al., 1977, 2 | AC |
30.2 | 205. | N/A | Stull, 1947 | Based on data from 190. to 300. K.; AC |
26.2 | 295. | MM | Willingham, Taylor, et al., 1945 | Based on data from 289. to 301. 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 |
---|---|---|---|---|---|
279. to 301. | 39.02 | 0.267 | 460.4 | Majer and Svoboda, 1985 |
Entropy of vaporization
ΔvapS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
84.48 | 293.95 | Schumann, Aston, et al., 1942, 2 | P; DH |
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 |
---|---|---|---|---|---|
190.3 to 300.9 | 3.90935 | 1018.516 | -40.081 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
300.9 to 453.5 | 3.97183 | 1021.864 | -43.231 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
289.44 to 301.74 | 3.91457 | 1020.012 | -40.053 | Williamham, Taylor, et al., 1945 |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
5.1555 | 113.37 | Guthrie and Huffman, 1943, 2 | DH |
5.130 | 113.39 | Schumann, Aston, et al., 1942, 2 | DH |
5.13 | 113.4 | Domalski and Hearing, 1996 | AC |
5.113 | 112.6 | Parks, Huffman, et al., 1930, 2 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
45.48 | 113.37 | Guthrie and Huffman, 1943, 2 | DH |
45.24 | 113.39 | Schumann, Aston, et al., 1942, 2 | DH |
45.23 | 113.4 | Domalski and Hearing, 1996 | CAL |
45.41 | 112.6 | Parks, Huffman, et al., 1930, 2 | DH |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.32 ± 0.05 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.21 | PI | Traeger, Hudson, et al., 1996 | T = 0K; LL |
10.18 | EST | Luo and Pacey, 1992 | LL |
10.22 | PI | Traeger, 1981 | LLK |
10.3 ± 0.1 | PE | Bieri, Burger, et al., 1977 | LLK |
10.50 ± 0.05 | EI | Flesch and Svec, 1973 | LLK |
10.32 | PE | Dewar and Worley, 1969 | RDSH |
10.32 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
10.94 | PE | Kimura, Katsumata, et al., 1981 | Vertical value; LLK |
11.0 ± 0.1 | PE | Bieri, Burger, et al., 1977 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C3H6+ | 10.66 | C2H6 | PI | Traeger, Hudson, et al., 1996 | T = 0K; LL |
C3H6+ | 10.84 ± 0.025 | C2H6 | PI | Steiner, Giese, et al., 1961 | RDSH |
C3H7+ | 11.06 | C2H5 | PI | Traeger, Hudson, et al., 1996 | T = 0K; LL |
C3H7+ | 11.15 ± 0.05 | C2H5 | PI | Steiner, Giese, et al., 1961 | RDSH |
C4H8+ | 10.72 | CH4 | PI | Traeger, Hudson, et al., 1996 | T = 0K; LL |
C4H8+ | 10.74 ± 0.02 | CH4 | PI | Steiner, Giese, et al., 1961 | RDSH |
C4H9+ | 10.96 | CH3 | PI | Traeger, Hudson, et al., 1996 | T = 0K; LL |
C4H9+ | 10.87 | CH3 | PI | Traeger, 1981 | LLK |
C4H9+ | 11.15 ± 0.07 | CH3 | PI | Steiner, Giese, et al., 1961 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Good, 1970
Good, W.D.,
The enthalpies of combustion and formation of the isomeric pentanes,
J. Chem. Thermodyn., 1970, 2, 237-244. [all data]
Pilcher and Chadwick, 1967
Pilcher, G.; Chadwick, J.D.M.,
Measurements of heats of combustion by flame calorimetry. Part 4.-n-Pentane, isopentane, neopentane,
Trans. Faraday Soc., 1967, 63, 2357-2361. [all data]
Prosen and Rossini, 1945
Prosen, E.J.; Rossini, F.D.,
Heats of combustion and formation of the paraffin hydrocarbons at 25° C,
J. Res. NBS, 1945, 263-267. [all data]
Knowlton and Rossini, 1939
Knowlton, J.W.; Rossini, F.D.,
Heats of combustion of tetramethylmethane and 2-methylbutane,
J. Res. NBS, 1939, 22, 415-424. [all data]
Roth and Pahlke, 1936
Roth, W.A.; Pahlke, H.,
Sekundare eichsubstanz fur verbrennungscalorimeter fur gase und dampfe. Die verbrennungswarme von isopentandampf,
Angew. Chem., 1936, 49, 618-619. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Scott D.W., 1974
Scott D.W.,
Chemical Thermodynamic Properties of Hydrocarbons and Related Substances. Properties of the Alkane Hydrocarbons, C1 through C10 in the Ideal Gas State from 0 to 1500 K. U.S. Bureau of Mines, Bulletin 666, 1974. [all data]
Scott D.W., 1974, 2
Scott D.W.,
Correlation of the chemical thermodynamic properties of alkane hydrocarbons,
J. Chem. Phys., 1974, 60, 3144-3165. [all data]
Pitzer K.S., 1946
Pitzer K.S.,
The entropies and related properties of branched paraffin hydrocarbons,
Chem. Rev., 1946, 39, 435-447. [all data]
Scott D.W., 1951
Scott D.W.,
Rotational isomerism and thermodynamic functions of 2-methylbutane and 2,3-dimethylbutane. Vapor heat capacity and heat of vaporization of 2-methylbutane,
J. Am. Chem. Soc., 1951, 73, 1707-1712. [all data]
Guthrie and Huffman, 1943
Guthrie, G.B.; Huffman, H.M.,
Thermal data. XVI. the heat capacity and entropy of isopentane. the absence of a reported anomaly.,
J. Am. Chem. Soc., 1943, 65, 1139. [all data]
Schumann, Aston, et al., 1942
Schumann, S.C.; Aston, J.G.; Sagenkahn, M.,
The Heat Capacity and Entropy, Heats of Fusion and Vaporization and the Vapor Pressures of Isopentane,
J. Am. Chem. Soc., 1942, 64, 1039. [all data]
Parks, Huffman, et al., 1930
Parks, G.S.; Huffman, H.M.; Thomas, S.B.,
Thermal Data on Organic Compounds VI. The Heat Capacities, Entropies and Free Energies of Some Saturated, Non-Benzenoid Hydrocarbons,
J. Am. Chem. Soc., 1930, 52, 1032-41. [all data]
Daubert, 1996
Daubert, T.E.,
Vapor-Liquid Critical Properties of Elements and Compounds. 5. Branched Alkanes and Cycloalkanes,
J. Chem. Eng. Data, 1996, 41, 365-372. [all data]
Das, Reed, et al., 1977
Das, T.R.; Reed, C.O.; Eubank, P.T.,
PVT Surface and Thermodindynamic Properties of Isopentane.,
J. Chem. Eng. Data, 1977, 22, 9. [all data]
Vohra and Kobe, 1959
Vohra, S.P.; Kobe, K.A.,
Volumetric Behaviour and Critical Constants of Isopentane,
J. Chem. Eng. Data, 1959, 4, 329. [all data]
Young, 1910
Young, S.,
The Internal Heat of Vaporization constants of thirty pure substances,
Sci. Proc. R. Dublin Soc., 1910, 12, 374. [all data]
Altschul, 1893
Altschul, M.,
The critical values of some organic compounds,
Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1893, 11, 577. [all data]
Holcomb, Magee, et al., 1995
Holcomb, C.D.; Magee, J.W.; Haynes, W.M.,
Density Measurements on Natural Gas Liquids, Research Report RR-147, Gas Processors Association Project 916, 1995. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
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,
AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637
. [all data]
Scott, McCullough, et al., 1951
Scott, D.W.; McCullough, J.P.; Williamson, K.D.; Waddington, G.,
Rotational isomerism and thermodynamic functions of 2-methylbutane and 2,3-dimethylbutane. Vapor heat capacity and heat of vaporization of 2-methylbutane,
J. Am. Chem. Soc., 1951, 73, 1707-17. [all data]
Schumann, Aston, et al., 1942, 2
Schumann, S.C.; Aston, J.G.; Sagenkahn, M.,
The heat capacity and entropy, heats of fusion and vaporization and the vapor pressures of isopentane,
J. Am. Chem. Soc., 1942, 64, 1039-1043. [all data]
Ewing and Goodwin, 1991
Ewing, M.B.; Goodwin, A.R.H.,
Vapour pressures of 2-methylbutane determined using comparative ebulliometry,
The Journal of Chemical Thermodynamics, 1991, 23, 12, 1163-1168, https://doi.org/10.1016/S0021-9614(05)80149-1
. [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]
Das, Reed, et al., 1977, 2
Das, Tarun R.; Reed, Charles O.; Eubank, Philip T.,
PVT surface and thermodynamic properties of neopentane,
J. Chem. Eng. Data, 1977, 22, 1, 16-21, https://doi.org/10.1021/je60072a025
. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Willingham, Taylor, et al., 1945
Willingham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D.,
Vapor pressures and boiling points of some paraffin, alkylcyclopentane, alkylcyclohexane, and alkylbenzene hydrocarbons,
J. RES. NATL. BUR. STAN., 1945, 35, 3, 219-17, https://doi.org/10.6028/jres.035.009
. [all data]
Williamham, Taylor, et al., 1945
Williamham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D.,
Vapor Pressures and Boiling Points of Some Paraffin, Alkylcyclopentane, Alkylcyclohexane, and Alkylbenzene Hydrocarbons,
J. Res. Natl. Bur. Stand. (U.S.), 1945, 35, 3, 219-244, https://doi.org/10.6028/jres.035.009
. [all data]
Guthrie and Huffman, 1943, 2
Guthrie, G.B., Jr.; Huffman, H.M.,
Thermal data. XVI. The heat capacity and entropy of isopentane. The absence of a reported anomaly,
J. Am. Chem. Soc., 1943, 65, 1139-1143. [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,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Parks, Huffman, et al., 1930, 2
Parks, G.S.; Huffman, H.M.; Thomas, S.B.,
Thermal data on organic compounds. VI. The heat capacities, entropies and free energies of some saturated, non-benzenoid hydrocarbons,
J. Am. Chem. Soc., 1930, 52, 1032-1041. [all data]
Traeger, Hudson, et al., 1996
Traeger, J.C.; Hudson, C.E.; McAdoo, D.J.,
A photoionization study of the ion-neutral complexes [CH3CH+CH3CH2CH3] and [CH3CH2CH+CH3CH3] in the gas phase: Formation, H-transfer and C-C bond formation between partners, and channeling of energy into dissociation,
J. Am. Soc. Mass Spectrom., 1996, 7, 73. [all data]
Luo and Pacey, 1992
Luo, Y.-R.; Pacey, P.D.,
Effects of alkyl substitution on ionization energies of alkanes and haloalkanes and on heats of formation of their molecular cations. Part 2. Alkanes and chloro-, bromo- and iodoalkanes,
Int. J. Mass Spectrom. Ion Processes, 1992, 112, 63. [all data]
Traeger, 1981
Traeger, J.C.,
Heat of formation of sec-butyl cation in the gas phase,
Org. Mass Spectrom., 1981, 16, 193. [all data]
Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P.,
Valence ionization enrgies of hydrocarbons,
Helv. Chim. Acta, 1977, 60, 2213. [all data]
Flesch and Svec, 1973
Flesch, G.D.; Svec, H.J.,
Fragmentation reactions in the mass spectrometer for C2-C5 alkanes,
J. Chem. Soc. Faraday Trans. 2, 1973, 69, 1187. [all data]
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,
J. Chem. Phys., 1969, 50, 654. [all data]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]
Steiner, Giese, et al., 1961
Steiner, B.; Giese, C.F.; Inghram, M.G.,
Photoionization of alkanes. Dissociation of excited molecular ions,
J. Chem. Phys., 1961, 34, 189. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics 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 Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume 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 ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ΔvapS Entropy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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