Propene
- Formula: C3H6
- Molecular weight: 42.0797
- IUPAC Standard InChIKey: QQONPFPTGQHPMA-UHFFFAOYSA-N
- CAS Registry Number: 115-07-1
- 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: Propylene; 1-Propene; Methylethylene; 1-Propylene; CH3CH=CH2; Methylethene; NCI-C50077; UN 1077; R 1270
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry 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 | 4.879 | kcal/mol | Eqk | Furuyama, Golden, et al., 1969 | ALS |
ΔfH°gas | 4.879 | kcal/mol | Cm | Lacher, Walden, et al., 1950 | Heat of hydrobromination; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -491.83 ± 0.27 | kcal/mol | Cm | Wiberg and Fenoglio, 1968 | Corresponding ΔfHºgas = 4.73 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°gas | -491.8 ± 0.1 | kcal/mol | Cm | Rossini and Knowlton, 1937 | Reanalyzed by Cox and Pilcher, 1970, Original value = -491.74 ± 0.15 kcal/mol; Corresponding ΔfHºgas = 4.71 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.210 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. Recommended entropies and heat capacities are in good agreement with other statistically calculated values [ Crawford B.L., 1939, Kilpatrick J.E., 1946, Kilpatrick J.E., 1947, Chao J., 1975] as well as with ab initio value of S(298.15 K)=266.82 J/mol*K [ East A.L.L., 1997].; GT |
9.338 | 100. | ||
10.60 | 150. | ||
12.01 | 200. | ||
14.45 | 273.15 | ||
15.37 | 298.15 | ||
15.44 | 300. | ||
19.23 | 400. | ||
22.75 | 500. | ||
25.813 | 600. | ||
28.463 | 700. | ||
30.765 | 800. | ||
32.772 | 900. | ||
34.522 | 1000. | ||
36.049 | 1100. | ||
37.380 | 1200. | ||
38.540 | 1300. | ||
39.551 | 1400. | ||
40.435 | 1500. | ||
42.194 | 1750. | ||
43.475 | 2000. | ||
44.429 | 2250. | ||
45.151 | 2500. | ||
45.707 | 2750. | ||
46.147 | 3000. |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.64 | 148.2 | Bier K., 1974 | Please also see Kistiakowsky G.B., 1940, Kistiakowsky G.B., 1940, 2, Telfair D., 1942.; GT |
10.86 | 157.6 | ||
12.48 | 213.1 | ||
12.69 | 220.1 | ||
12.83 | 223.7 | ||
13.97 | 258.0 | ||
14.29 | 270. | ||
14.36 ± 0.031 | 272.29 | ||
14.69 | 280. | ||
15.16 | 291.1 | ||
15.25 ± 0.031 | 298.15 | ||
15.47 ± 0.031 | 299.33 | ||
15.47 | 300. | ||
16.23 | 320. | ||
16.22 ± 0.033 | 323.15 | ||
16.74 ± 0.041 | 333.86 | ||
16.98 | 340. | ||
17.16 ± 0.033 | 348.15 | ||
17.72 | 360. | ||
17.80 ± 0.036 | 365.15 | ||
17.93 ± 0.02 | 367.11 | ||
18.11 ± 0.036 | 373.15 | ||
19.08 ± 0.038 | 378.15 | ||
18.44 | 380. | ||
19.16 | 400. | ||
19.88 | 420. | ||
19.98 ± 0.041 | 423.15 | ||
20.58 | 440. | ||
20.90 ± 0.041 | 448.15 | ||
21.28 | 460. | ||
21.79 ± 0.043 | 473.15 | ||
21.97 | 480. | ||
22.65 | 500. | ||
22.99 | 510. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 46.77 | cal/mol*K | N/A | Chao, Hall, et al., 1983 |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
24.4 | 298.15 | Chao, Hall, et al., 1983 | T = 14 to 340 K. |
23.6 | 300. | Auerbach, Sage, et al., 1950 | T = 300 to 344 K. Datum at 80°C is Cp at the bubble point, 0.5615 Btu/lb*R. |
22.01 | 230. | Powell and Giauque, 1939 | T = 14 to 225 K. |
21.5 | 210.3 | Huffman, Parks, et al., 1931 | T = 69 to 210 K. Value is unsmoothed experimental datum. |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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. 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
C3H5- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 391.10 ± 0.30 | kcal/mol | G+TS | Ellison, Davico, et al., 1996 | gas phase; calculated dSacid=24.2±1.0 eu; B |
ΔrH° | 390.5 ± 1.0 | kcal/mol | D-EA | Wenthold, Polak, et al., 1996 | gas phase; B |
ΔrH° | 390.7 ± 2.1 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 390.25 ± 0.65 | kcal/mol | G+TS | Mackay, Lien, et al., 1978 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 383.80 ± 0.10 | kcal/mol | IMRE | Ellison, Davico, et al., 1996 | gas phase; calculated dSacid=24.2±1.0 eu; B |
ΔrG° | 383.9 ± 1.1 | kcal/mol | H-TS | Wenthold, Polak, et al., 1996 | gas phase; B |
ΔrG° | 384.1 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 383.60 ± 0.50 | kcal/mol | IMRE | Mackay, Lien, et al., 1978 | gas phase; B |
By formula: HBr + C3H6 = C3H7Br
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -20.43 | kcal/mol | Cm | Lacher, Kianpour, et al., 1957 | gas phase; ALS |
ΔrH° | -20.050 | kcal/mol | Cm | Lacher, Lea, et al., 1950 | gas phase; Heat of hydrobromination at 367°K; ALS |
ΔrH° | -20.10 ± 0.14 | kcal/mol | Cm | Lacher, Walden, et al., 1950 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -20.17 ± 0.24 kcal/mol; Heat of hydrobromination; ALS |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -29.5 ± 1.2 | kcal/mol | Chyd | Kistiakowsky and Nickle, 1951 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.85 ± 0.50 kcal/mol; ALS |
ΔrH° | -29.87 ± 0.10 | kcal/mol | Chyd | Kistiakowsky, Ruhoff, et al., 1935 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -30.115 ± 0.013 kcal/mol; At 355 °K; ALS |
C3H5- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 405.8 ± 2.0 | kcal/mol | Bran | DePuy, Gronert, et al., 1989 | gas phase; B |
ΔrH° | >404.75 ± 0.60 | kcal/mol | G+TS | Froelicher, Freiser, et al., 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 398.0 ± 2.1 | kcal/mol | H-TS | DePuy, Gronert, et al., 1989 | gas phase; B |
ΔrG° | >397.00 | kcal/mol | IMRB | Froelicher, Freiser, et al., 1986 | gas phase; B |
By formula: HI + C3H5I = C3H6 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -7.96 ± 0.33 | kcal/mol | Eqk | Rodgers, Golden, et al., 1966 | gas phase; ALS |
ΔrH° | -9.5 ± 1.0 | kcal/mol | Eqk | Rodgers, Golden, et al., 1966 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -8.33 ± 0.23 kcal/mol; At 527 K; ALS |
By formula: C3H7Cl = C3H6 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.3 ± 0.2 | kcal/mol | Eqk | Noren and Sunner, 1970 | gas phase; ALS |
ΔrH° | 17.62 ± 0.15 | kcal/mol | Eqk | Kabo and Andreevskii, 1963 | gas phase; At 415.5 K; ALS |
ΔrH° | 17.45 ± 0.50 | kcal/mol | Eqk | Howlett, 1955 | gas phase; ALS |
By formula: Co+ + C3H6 = (Co+ • C3H6)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
43.0 (+1.7,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M | |
43.1 (+1.6,-0.) | CID | Haynes and Armentrout, 1994 | gas phase; guided ion beam CID; M |
By formula: C3H9Si+ + C3H6 = (C3H9Si+ • C3H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.6 | kcal/mol | PHPMS | Li and Stone, 1989 | gas phase; condensation; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 42.5 | cal/mol*K | PHPMS | Li and Stone, 1989 | gas phase; condensation; M |
By formula: C3H6 + Br2 = C3H6Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -29.27 ± 0.20 | kcal/mol | Cm | Conn, Kistiakowsky, et al., 1938 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.41 ± 0.20 kcal/mol; At 355 °K; ALS |
C3H5- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >404.75 ± 0.90 | kcal/mol | G+TS | Froelicher, Freiser, et al., 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | >397.00 | kcal/mol | IMRB | Froelicher, Freiser, et al., 1986 | gas phase; B |
By formula: Li+ + C3H6 = (Li+ • C3H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23. | kcal/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M |
By formula: Rh+ + C3H6 = (Rh+ • C3H6)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
28.1 | CID | Chen and Armetrout, 1995 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: Fe+ + C3H6 = (Fe+ • C3H6)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
34.7 (+1.7,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
(CAS Reg. No. 25012-80-0 • 4294967295) + = CAS Reg. No. 25012-80-0
By formula: (CAS Reg. No. 25012-80-0 • 4294967295C3H6) + C3H6 = CAS Reg. No. 25012-80-0
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.8 ± 2.1 | kcal/mol | N/A | DePuy, Gronert, et al., 1989 | gas phase; B |
(CAS Reg. No. 59513-13-2 • 4294967295) + = CAS Reg. No. 59513-13-2
By formula: (CAS Reg. No. 59513-13-2 • 4294967295C3H6) + C3H6 = CAS Reg. No. 59513-13-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.6 ± 2.1 | kcal/mol | N/A | DePuy, Gronert, et al., 1989 | gas phase; B |
By formula: C3H6 + HCl = C3H7Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -17.54 | kcal/mol | Eqk | Kabo and Andreevskii, 1963 | gas phase; At 385°K; ALS |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -20.62 | kcal/mol | Eqk | Furuyama, Golden, et al., 1969 | gas phase; ALS |
By formula: C3H6 + H2O4S = isopropyl hydrogen sulphate
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -9.2 ± 0.2 | kcal/mol | Eqk | Entelis, Korovina, et al., 1960 | liquid phase; ALS |
By formula: C3H6I2 = C3H6 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 ± 0.4 | kcal/mol | Eqk | Benson and Amano, 1962 | gas phase; ALS |
By formula: C3H7Br = HBr + C3H6
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.3 ± 0.5 | kcal/mol | Eqk | Rozhnov and Andreevskii, 1962 | gas phase; ALS |
By formula: C3H6 + C3F6O = C6H6F6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -18.7 ± 1.0 | kcal/mol | Eqk | Moore, 1971 | gas phase; ALS |
By formula: Au+ + C3H6 = (Au+ • C3H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >75. | kcal/mol | IMRB | Schroeder, Hrusak, et al., 1995 | RCD |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Furuyama, Golden, et al., 1969
Furuyama, S.; Golden, D.M.; Benson, S.W.,
Thermochemistry of the gas phase equilibria i-C3H7I = C3H6 + HI, n-C3H7I = i-C3H7I, and C3H6 + 2HI = C3H8 + I2,
J. Chem. Thermodyn., 1969, 1, 363-375. [all data]
Lacher, Walden, et al., 1950
Lacher, J.R.; Walden, C.H.; Lea, K.R.; Park, J.D.,
Vapor phase heats of hydrobromination of cyclopropane and propylene,
J. Am. Chem. Soc., 1950, 72, 331-333. [all data]
Wiberg and Fenoglio, 1968
Wiberg, K.B.; Fenoglio, R.A.,
Heats of formation of C4H6 hydrocarbons,
J. Am. Chem. Soc., 1968, 90, 3395-3397. [all data]
Rossini and Knowlton, 1937
Rossini, F.d.; Knowlton, J.W.,
Calorimetric determination of the heats of combustion of ethylene and propylene,
J. Res. NBS, 1937, 19, 249-262. [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]
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]
Crawford B.L., 1939
Crawford B.L., Jr.,
The entropy and heat capacity of propylene,
J. Am. Chem. Soc., 1939, 61, 2980-2981. [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,
J. Res. Nat. Bur. Stand, 1946, 37, 163-171. [all data]
Kilpatrick J.E., 1947
Kilpatrick J.E.,
Normal coordinate analysis of the vibrational frequencies of ethylene, propylene, cis-2-butene, trans-2-butene, and isobutene,
J. Res. Nat. Bur. Stand., 1947, 38, 191-209. [all data]
Chao J., 1975
Chao J.,
Ideal gas thermodynamic properties of ethylene and propylene,
J. Phys. Chem. Ref. Data, 1975, 4, 251-261. [all data]
East A.L.L., 1997
East A.L.L.,
Ab initio statistical thermodynamical models for the computation of third-law entropies,
J. Chem. Phys., 1997, 106, 6655-6674. [all data]
Bier K., 1974
Bier K.,
Thermodynamic properties of propylene from calorimetric measurements,
J. Chem. Thermodyn., 1974, 6, 1039-1052. [all data]
Kistiakowsky G.B., 1940
Kistiakowsky G.B.,
The low temperature gaseous heat capacities of certain C3 hydrocarbons,
J. Chem. Phys., 1940, 8, 970-977. [all data]
Kistiakowsky G.B., 1940, 2
Kistiakowsky G.B.,
Gaseous heat capacities. II,
J. Chem. Phys., 1940, 8, 610-618. [all data]
Telfair D., 1942
Telfair D.,
Supersonic measurement of the heat capacity of propylene,
J. Chem. Phys., 1942, 10, 167-171. [all data]
Chao, Hall, et al., 1983
Chao, J.; Hall, K.R.; Yao, J.M.,
Thermodynamic properties of simple alkenes,
Thermochim. Acta, 1983, 64(3), 285-303. [all data]
Auerbach, Sage, et al., 1950
Auerbach, C.E.; Sage, B.H.; Lacey, W.N.,
Isobaric heat capacities at bubble point,
Ind. Eng. Chem., 1950, 42, 110-113. [all data]
Powell and Giauque, 1939
Powell, T.M.; Giauque, W.F.,
Propylene. The heat capacity, vapor pressure, heats of fusion and vaporization. The third law of thermodynamics and orientation equilibrium in the solid,
J. Am. Chem. Soc., 1939, 61, 2366-2370. [all data]
Huffman, Parks, et al., 1931
Huffman, H.M.; Parks, G.S.; Barmore, M.,
Thermal data on organic compounds. X. Further studies on the heat capacities, entropies and free energies of hydrocarbons,
J. Am. Chem. Soc., 1931, 53, 3876-3888. [all data]
Ellison, Davico, et al., 1996
Ellison, G.B.; Davico, G.E.; Bierbaum, V.M.; DePuy, C.H.,
Thermochemistry of theb Benzyl and Allyl Radicals and Ions,
Int. J. Mass Spectrom. Ion Proc., 1996, 156, 1-2, 109-131, https://doi.org/10.1016/S0168-1176(96)04383-2
. [all data]
Wenthold, Polak, et al., 1996
Wenthold, P.G.; Polak, M.L.; Lineberger, W.C.,
Photoelectron Spectroscopy of the Allyl and 2-Methylallyl Anions,
J. Phys. Chem., 1996, 100, 17, 6920, https://doi.org/10.1021/jp953401n
. [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]
Mackay, Lien, et al., 1978
Mackay, G.I.; Lien, M.H.; Hopkinson, A.C.; Bohme, D.K.,
Experimental and theoretical studies of proton removal from propene,
Can. J. Chem., 1978, 56, 131. [all data]
Lacher, Kianpour, et al., 1957
Lacher, J.R.; Kianpour, A.; Park, J.D.,
Reaction heats of organic halogen compounds. X. Vapor phase heats of hydrobromination of cyclopropane and propylene,
J. Phys. Chem., 1957, 61, 1124-1125. [all data]
Lacher, Lea, et al., 1950
Lacher, J.R.; Lea, K.R.; Walden, C.H.; Olson, G.G.; Park, J.D.,
Reaction heats of organic fluorine compounds. III. The vapor phase heats of hydrobromination of some simple fluoroolefins,
J. Am. Chem. Soc., 1950, 72, 3231-3234. [all data]
Kistiakowsky and Nickle, 1951
Kistiakowsky, G.B.; Nickle, A.G.,
Ethane-ethylene and propane-propylene equilibria,
Faraday Discuss. Chem. Soc., 1951, 10, 175-187. [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,
J. Am. Chem. Soc., 1935, 57, 876-882. [all data]
DePuy, Gronert, et al., 1989
DePuy, C.H.; Gronert, S.; Barlow, S.E.; Bierbaum, V.M.; Damrauer, R.,
The Gas Phase Acidities of the Alkanes,
J. Am. Chem. Soc., 1989, 111, 6, 1968, https://doi.org/10.1021/ja00188a003
. [all data]
Froelicher, Freiser, et al., 1986
Froelicher, S.W.; Freiser, B.S.; Squires, R.R.,
The C3H5- isomers. Experimental and theoretical studies of the tautomeric propenyl ions and the cyclopropyl anion in the gas phase,
J. Am. Chem. Soc., 1986, 108, 2853. [all data]
Rodgers, Golden, et al., 1966
Rodgers, A.S.; Golden, D.M.; Benson, S.W.,
The thermochemistry of the gas phase equilibrium I2 + C3H6 = C3H5I + HI,
J. Am. Chem. Soc., 1966, 88, 3194-3196. [all data]
Noren and Sunner, 1970
Noren, I.; Sunner, S.,
The enthalpy of formation of 2-chloropropane from equilibrium studies,
J. Chem. Thermodyn., 1970, 2, 597-602. [all data]
Kabo and Andreevskii, 1963
Kabo, G.Ya.; Andreevskii, D.N.,
Equilibrium of 2-chloropropane dehydrochlorination,
Neftekhimiya, 1963, 3, 764-770. [all data]
Howlett, 1955
Howlett, K.E.,
The use of equilibrium constants to calculate thermodynamic quantities. Part II,
J. Chem. Soc., 1955, 1784-17. [all data]
Armentrout and Kickel, 1994
Armentrout, P.B.; Kickel, B.L.,
Gas Phase Thermochemistry of Transition Metal Ligand Systems: Reassessment of Values and Periodic Trends, in Organometallic Ion Chemistry, B. S. Freiser, ed, 1994. [all data]
Haynes and Armentrout, 1994
Haynes, C.L.; Armentrout, P.B.,
Thermochemistry and Structures of CoC3H6+: Metallacyclic and Metal-Alkene Isomers,
Organomettalics, 1994, 13, 9, 3480, https://doi.org/10.1021/om00021a022
. [all data]
Li and Stone, 1989
Li, X.; Stone, J.A.,
Determination of the beta silicon effect from a mass spectrometric study of the association of trimethylsilylium ion with alkenes,
J. Am. Chem. Soc., 1989, 111, 15, 5586, https://doi.org/10.1021/ja00197a013
. [all data]
Conn, Kistiakowsky, et al., 1938
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A.,
Heats of organic reactions. VII. Addition of halogens to olefins,
J. Am. Chem. Soc., 1938, 60, 2764-2771. [all data]
Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L.,
Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases,
J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050
. [all data]
Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P.,
Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n,
J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013
. [all data]
Chen and Armetrout, 1995
Chen, Y.M.; Armetrout, P.B.,
Activation of C2H6, C3H8, and c-C3H6 by Gas-Phase Rh+ and the Thermochemistry of Rh-Ligand Complexes,
J. Am. Chem. Soc., 1995, 117, 36, 9291, https://doi.org/10.1021/ja00141a022
. [all data]
Entelis, Korovina, et al., 1960
Entelis, S.G.; Korovina, G.V.; Chirkov, N.M.,
The thermodynamics of propylene absorption by the H2SO4-H20 system,
Dokl. Akad. Nauk SSSR, 1960, 134, 856-859. [all data]
Benson and Amano, 1962
Benson, S.W.; Amano, A.,
Thermodynamics of iodine addition to ethylene, propylene, and cyclopropane,
J. Chem. Phys., 1962, 36, 3464-3471. [all data]
Rozhnov and Andreevskii, 1962
Rozhnov, A.M.; Andreevskii, D.N.,
Equilibrium in the system propene, hydrogen bromide, bromopropane,
Dokl. Akad. Nauk SSSR, 1962, 147, 388-391. [all data]
Moore, 1971
Moore, L.O.,
Kinetics and thermodynamic data for the hydrogen fluoride addition to vinyl fluoride,
Can. J. Chem., 1971, 49, 2471-2475. [all data]
Schroeder, Hrusak, et al., 1995
Schroeder, D.; Hrusak, J.; Hertwig, R.H.; Koch, W.; Schwerdtfeger, P.; Schwarz, H.,
Experimental and Theoretical Studies of Gold(I) Complexes Au(L)+ (L=H2O, CO, NH3, C2H4, C3H6, C4H6, C6H6, C6F6),
Organometallics, 1995, 14, 1, 312, https://doi.org/10.1021/om00001a045
. [all data]
Notes
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- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid 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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