Cyclohexane, methyl-
- Formula: C7H14
- Molecular weight: 98.1861
- IUPAC Standard InChIKey: UAEPNZWRGJTJPN-UHFFFAOYSA-N
- CAS Registry Number: 108-87-2
- 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: Cyclohexylmethane; Hexahydrotoluene; Methylcyclohexane; Sextone B; Toluene hexahydride; Hexahydroxytoluene; Metylocykloheksan; Toluene, hexahydro-; UN 2296; NSC 9391
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -36.99 ± 0.25 | kcal/mol | Ccb | Prosen, Johnson, et al., 1946 | ALS |
ΔfH°gas | -38.22 | kcal/mol | N/A | Moore, Renquist, et al., 1940 | Value computed using ΔfHliquid° value of -195.3±1.9 kj/mol from Moore, Renquist, et al., 1940 and ΔvapH° value of 35.4 kj/mol from Prosen, Johnson, et al., 1946.; DRB |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 82.051 | cal/mol*K | N/A | Beckett C.W., 1947 | GT |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.724 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. Recommended S(T) and Cp(T) values differ significantly from earlier statistically calculated values [ Beckett C.W., 1947] at high temperatures (6 and 7 J/mol*K, respectively, at 1500 K).; GT |
12.43 | 100. | ||
16.86 | 150. | ||
21.58 | 200. | ||
29.52 | 273.15 | ||
32.46 | 298.15 | ||
32.67 | 300. | ||
44.46 | 400. | ||
54.95 | 500. | ||
63.77 | 600. | ||
71.13 | 700. | ||
77.32 | 800. | ||
82.55 | 900. | ||
87.02 | 1000. | ||
90.85 | 1100. | ||
94.12 | 1200. | ||
96.94 | 1300. | ||
99.38 | 1400. | ||
101.5 | 1500. | ||
105.6 | 1750. | ||
108.6 | 2000. | ||
110.7 | 2250. | ||
112.4 | 2500. | ||
113.6 | 2750. | ||
114.6 | 3000. |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
43.200 | 390. | Spitzer R., 1946 | Please also see Montgomery J.B., 1942.; GT |
44.13 ± 0.41 | 398. | ||
45.201 | 410. | ||
48.62 ± 0.50 | 439. | ||
53.24 ± 0.50 | 480. | ||
57.82 ± 0.60 | 527. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -45.45 ± 0.25 | kcal/mol | Ccb | Prosen, Johnson, et al., 1946 | ALS |
ΔfH°liquid | -46.67 ± 0.46 | kcal/mol | Ccb | Moore, Renquist, et al., 1940 | Reanalyzed by Cox and Pilcher, 1970, Original value = -46.02 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1091.13 ± 0.23 | kcal/mol | Ccb | Prosen, Johnson, et al., 1946 | Corresponding ΔfHºliquid = -45.43 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -1090.89 ± 0.45 | kcal/mol | Ccb | Moore, Renquist, et al., 1940 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1090.42 ± 0.45 kcal/mol; Corresponding ΔfHºliquid = -45.67 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -1100.6 | kcal/mol | Ccb | Zubova, 1901 | Corresponding ΔfHºliquid = -36.0 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 59.250 | cal/mol*K | N/A | Douslin and Huffman, 1946 | DH |
S°liquid | 59.30 | cal/mol*K | N/A | Parks and Huffman, 1930 | Extrapolation below 90 K, 54.73 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
44.068 | 298.15 | Shiohama, Ogawa, et al., 1988 | DH |
44.207 | 298.15 | Tanaka, 1985 | DH |
44.285 | 298.15 | Grolier, Inglese, et al., 1982 | T = 298.15 K.; DH |
44.17 | 298.15 | Wilhelm, Grolier, et al., 1979 | DH |
44.178 | 298.15 | Holzhauer and Ziegler, 1975 | T = 144 to 312 K. Cp = 129.88277 - 0.0054107773T + 7.9975642x10-4T2 J/mol*K.; DH |
44.281 | 298.055 | Hwa and Ziegler, 1966 | T = 175 to 308 K. Unsmoothed experimental datum.; DH |
44.099 | 298.15 | Douslin and Huffman, 1946 | T = 12 to 300 K.; DH |
43.50 | 294.2 | Parks and Huffman, 1930 | T = 93 to 294 K. Value is unsmoothed experimental datum.; DH |
Phase change data
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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 374.0 ± 0.8 | K | AVG | N/A | Average of 101 out of 106 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 146.6 ± 0.4 | K | AVG | N/A | Average of 15 out of 16 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 146.58 | K | N/A | Douslin and Huffman, 1946, 2 | Uncertainty assigned by TRC = 0.05 K; To = 273.16 K; TRC |
Ttriple | 146.57 | K | N/A | Douslin and Huffman, 1946, 2 | Uncertainty assigned by TRC = 0.08 K; To = 273.16 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 573. ± 2. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 34.3 ± 0.2 | atm | N/A | Daubert, 1996 | |
Pc | 34.26 | atm | N/A | Kudchadker, Alani, et al., 1968 | Uncertainty assigned by TRC = 0.300 atm; TRC |
Pc | 34.3220 | atm | N/A | Kay, 1947 | Uncertainty assigned by TRC = 0.0499 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.369 | l/mol | N/A | Daubert, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.71 ± 0.02 | mol/l | N/A | Daubert, 1996 | |
ρc | 2.719 | mol/l | N/A | Kudchadker, Alani, et al., 1968 | Uncertainty assigned by TRC = 0.03 mol/l; TRC |
ρc | 2.715 | mol/l | N/A | Simon, 1957 | Uncertainty assigned by TRC = 0.03 mol/l; TRC |
ρc | 2.71 | mol/l | N/A | Kay, 1947 | Uncertainty assigned by TRC = 0.02 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 8.44 ± 0.05 | kcal/mol | AVG | N/A | Average of 10 out of 11 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.474 | 374.1 | N/A | Majer and Svoboda, 1985 | |
8.08 | 340. | N/A | Sapei, Uusi-Kyyny, et al., 2010 | Based on data from 325. to 374. K.; AC |
8.65 | 310. | N/A | Wu, Pividal, et al., 1991 | Based on data from 295. to 333. K.; AC |
7.72 | 388. | A | Stephenson and Malanowski, 1987 | Based on data from 373. to 511. K.; AC |
7.46 | 516. | A | Stephenson and Malanowski, 1987 | Based on data from 501. to 573. K.; AC |
8.27 | 323. | A | Stephenson and Malanowski, 1987 | Based on data from 308. to 368. K. See also Valerga, 1970 and Boublik, Fried, et al., 1984.; AC |
7.70 | 353. | N/A | Eubank, Cediel, et al., 1984 | AC |
7.15 | 393. | N/A | Eubank, Cediel, et al., 1984 | AC |
6.43 | 433. | N/A | Eubank, Cediel, et al., 1984 | AC |
5.59 | 473. | N/A | Eubank, Cediel, et al., 1984 | AC |
8.27 ± 0.02 | 313. | C | Majer, Svoboda, et al., 1979 | AC |
8.01 ± 0.02 | 333. | C | Majer, Svoboda, et al., 1979 | AC |
7.77 ± 0.02 | 353. | C | Majer, Svoboda, et al., 1979 | AC |
7.60 | 374. | N/A | Spitzer and Pitzer, 1946 | AC |
8.34 | 314. | MM | Willingham, Taylor, et al., 1945 | Based on data from 299. to 375. K.; AC |
8.63 | 288. | N/A | Stuckey and Saylor, 1940 | Based on data from 273. to 348. K.; AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
298. to 374. | 11.85 | 0.2685 | 572.1 | Majer and Svoboda, 1985 |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.6134 | 146.58 | Douslin and Huffman, 1946 | DH |
1.60 | 146.6 | Domalski and Hearing, 1996 | AC |
1.595 | 146.2 | Parks and Huffman, 1930 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
11.01 | 146.58 | Douslin and Huffman, 1946 | DH |
10.79 | 146.2 | Parks and Huffman, 1930 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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
By formula: C7H12 + H2 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28.56 ± 0.16 | kcal/mol | Chyd | Rogers, Crooks, et al., 1987 | liquid phase |
ΔrH° | -27.75 ± 0.13 | kcal/mol | Chyd | Turner and Garner, 1958 | liquid phase; solvent: Acetic acid |
ΔrH° | -27.75 ± 0.13 | kcal/mol | Eqk | Turner and Garner, 1957 | liquid phase; solvent: Acetic acid |
ΔrH° | -28.70 ± 0.07 | kcal/mol | Chyd | Turner and Garner, 1957, 2 | liquid phase; solvent: Acetic acid |
By formula: H2 + C7H12 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -26.63 ± 0.088 | kcal/mol | Chyd | Rogers, Crooks, et al., 1987 | liquid phase |
ΔrH° | -25.41 ± 0.11 | kcal/mol | Chyd | Turner and Garner, 1958 | liquid phase; solvent: Acetic acid |
ΔrH° | -25.41 ± 0.11 | kcal/mol | Chyd | Turner and Garner, 1957 | liquid phase; solvent: Acetic acid |
By formula: 2H2 + C7H10 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -92.4 ± 0.1 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase |
Henry's Law data
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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 |
---|---|---|---|---|
0.0097 | 9400. | M | N/A | |
0.0093 | 9100. | X | N/A | |
0.0023 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.0025 | L | N/A | ||
0.0023 | V | N/A |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D.,
Heats of formation and combustion of the normal alkylcyclopentanes and cyclohexanes and the increment per CH2 group for several homologous series of hydrocarbons,
J. Res. NBS, 1946, 37, 51-56. [all data]
Moore, Renquist, et al., 1940
Moore, G.E.; Renquist, M.L.; Parks, G.S.,
Thermal data on organic compounds. XX. Modern combustion data for two methylnonanes, methyl ethyl ketone, thiophene and six cycloparaffins,
J. Am. Chem. Soc., 1940, 62, 1505-1507. [all data]
Beckett C.W., 1947
Beckett C.W.,
The thermodynamic properties and molecular structure of cyclohexane, methylcyclohexane, ethylcyclohexane, and seven dimethylcyclohexanes,
J. Am. Chem. Soc., 1947, 69, 2488-2495. [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]
Spitzer R., 1946
Spitzer R.,
The heat capacity of gaseous cyclopentane, cyclohexane and methylcyclohexane,
J. Am. Chem. Soc., 1946, 68, 2537-2538. [all data]
Montgomery J.B., 1942
Montgomery J.B.,
The heat capacity of organic vapors. IV. Benzene, fluorobenzene, toluene, cyclohexane, methylcyclohexane and cyclohexene,
J. Am. Chem. Soc., 1942, 64, 2375-2377. [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]
Zubova, 1901
Zubova, P.,
Data about heat of combustion of compound cycle structure,
Zh. Fiz. Khim., 1901, 33, 708-722. [all data]
Douslin and Huffman, 1946
Douslin, D.R.; Huffman, H.M.,
The heat capacities, heats of transition, heats of fusion and entropies of cyclopentane, methylcyclopentane and methylcylohexane,
J. Am. Chem. Soc., 1946, 68, 173-176. [all data]
Parks and Huffman, 1930
Parks, G.S.; Huffman, H.M.,
Thermal data on organic compounds. IX. A study of the effect of unsaturation on the heat capacities, entropies and free energies of some hydrocarbons and other compounds,
J. Am. Chem. Soc., 1930, 52, 4381-4391. [all data]
Shiohama, Ogawa, et al., 1988
Shiohama, Y.; Ogawa, H.; Murakami, S.; Fujihara, I.,
Excess thermodynamic properties of (cis-decalin or trans-decalin + cyclohexane or methylcyclohexane or cyclooctane) at 298.15 K,
J. Chem. Thermodynam., 1988, 20, 1307-1314. [all data]
Tanaka, 1985
Tanaka, R.,
Excess heat capacities for mixtures of benzene with cyclopentane, methylcyclohexane, and cyclooctane at 298.15 K,
J. Chem. Eng. Data, 1985, 30, 267-269. [all data]
Grolier, Inglese, et al., 1982
Grolier, J.-P.E.; Inglese, A.; Wilhelm, E.,
Excess volumes and excess heat capacities of tetrachloroethene + cyclohexane, + methylcyclohexane, + benzene, and + toluene at 298.15 K,
J. Chem. Thermodynam., 1982, 14, 523-529. [all data]
Wilhelm, Grolier, et al., 1979
Wilhelm, E.; Grolier, G.-P.E.; Karbalai Ghassemi, M.H.,
Molar heat capacity of binary liquid mixtures: 1,2-dichloroethane + cyclohexane and 1,2-dichloroethane + methylcyclohexane,
Thermochim. Acta, 1979, 28, 59-69. [all data]
Holzhauer and Ziegler, 1975
Holzhauer, J.K.; Ziegler, W.T.,
Temperature dependence of excess thermodynamic properties of n-heptane-toluene, methylcyclohexane-toluene, and n-heptane-methylcyclohexane systems,
J. Phys. Chem., 1975, 79(6), 590-604. [all data]
Hwa and Ziegler, 1966
Hwa, S.C.P.; Ziegler, W.T.,
Temperature dependence of excess thermodynamic properties of ethanol-methylcyclohexane and ethanol-toluene systems,
J. Phys. Chem., 1966, 70(8), 2572-2593. [all data]
Douslin and Huffman, 1946, 2
Douslin, D.R.; Huffman, H.M.,
The heat capacities, heats of transition, heats of fusion and entropies of cyclopentane, methylcyclopentane and methylcyclohexane.,
J. Am. Chem. Soc., 1946, 68, 173. [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]
Kudchadker, Alani, et al., 1968
Kudchadker, A.P.; Alani, G.H.; Zwolinski, B.J.,
The Critical Constants of Organic Substances,
Chem. Rev., 1968, 68, 659. [all data]
Kay, 1947
Kay, W.B.,
Vapor Pressures and Saturated Liquid and Vapor DEensities of Cyclopentane, Methylcyclopentane, Ethylcyclopentane, and Methylcyclohexane,
J. Am. Chem. Soc., 1947, 69, 1273-7. [all data]
Simon, 1957
Simon, M.,
Methods and Apparatus Used at the Bureau of Physicochemical Standards XV. Critical Constants and Straight-Line Diameters of Ten Hydrocarbons,
Bull. Soc. Chim. Belg., 1957, 66, 375-81. [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]
Sapei, Uusi-Kyyny, et al., 2010
Sapei, Erlin; Uusi-Kyyny, Petri; Keskinen, Kari I.; Alopaeus, Ville,
Phase equilibria of binary systems of 3-methylthiophene with four different hydrocarbons,
Fluid Phase Equilibria, 2010, 288, 1-2, 155-160, https://doi.org/10.1016/j.fluid.2009.11.004
. [all data]
Wu, Pividal, et al., 1991
Wu, Huey S.; Pividal, Katherine A.; Sandler, Stanley I.,
Vapor-liquid equilibria of hydrocarbons and fuel oxygenates,
J. Chem. Eng. Data, 1991, 36, 4, 418-421, https://doi.org/10.1021/je00004a021
. [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]
Valerga, 1970
Valerga, Antone J.,
Entropy and Related Thermodynamic Properties of Tetramethylgermane,
J. Chem. Phys., 1970, 52, 9, 4545, https://doi.org/10.1063/1.1673681
. [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]
Eubank, Cediel, et al., 1984
Eubank, P.T.; Cediel, L.E.; Holste, J.C.; Hall, K.R.,
Enthalpies for toluene and methylcyclohexane in the fluid state,
J. Chem. Eng. Data, 1984, 29, 389-393. [all data]
Majer, Svoboda, et al., 1979
Majer, Vladimír; Svoboda, Václav; Hála, Slavoj; Pick, Jirí,
Temperature dependence of heats of vaporization of saturated hydrocarbons C5-C8; Experimental data and an estimation method,
Collect. Czech. Chem. Commun., 1979, 44, 3, 637-651, https://doi.org/10.1135/cccc19790637
. [all data]
Spitzer and Pitzer, 1946
Spitzer, Ralph; Pitzer, Kenneth S.,
The Heat Capacity of Gaseous Cyclopentane, Cyclohexane and Methylcyclohexane,
J. Am. Chem. Soc., 1946, 68, 12, 2537-2538, https://doi.org/10.1021/ja01216a032
. [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]
Stuckey and Saylor, 1940
Stuckey, James M.; Saylor, John H.,
The Vapor Pressures of Some Organic Compounds. I. 1,
J. Am. Chem. Soc., 1940, 62, 11, 2922-2925, https://doi.org/10.1021/ja01868a011
. [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]
Rogers, Crooks, et al., 1987
Rogers, D.W.; Crooks, E.; Dejroongruang, K.,
Enthalpies of hydrogenation of the hexenes,
J. Chem. Thermodyn., 1987, 19, 1209-1215. [all data]
Turner and Garner, 1958
Turner, R.B.; Garner, R.H.,
Heats of hydrogenation. V. Relative stabilities in certain exocyclic-endocyclic olefin pairs,
J. Am. Chem. Soc., 1958, 80, 1424-1430. [all data]
Turner and Garner, 1957
Turner, R.B.; Garner, R.H.,
Heats of hydrogenation. V. Relative stabilities in certain exocyclic-endocyclic olefin pairs,
J. Am. Chem. Soc., 1957, 80, 1424-1430. [all data]
Turner and Garner, 1957, 2
Turner, R.B.; Garner, R.H.,
The stability relationship of 1-methyl-cyclopentene and methylenecyclopentane,
J. Am. Chem. Soc., 1957, 79, 253. [all data]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°gas Entropy of gas at standard conditions S°liquid Entropy of liquid at standard conditions 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°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrH° Enthalpy 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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