Octane
- Formula: C8H18
- Molecular weight: 114.2285
- IUPAC Standard InChIKey: TVMXDCGIABBOFY-UHFFFAOYSA-N
- CAS Registry Number: 111-65-9
- 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: n-Octane; n-C8H18; Oktan; Oktanen; Ottani; UN 1262
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Gas phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:
DRB - Donald R. Burgess, Jr.
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 | -49.88 | kcal/mol | N/A | Good, 1972 | Value computed using ΔfHliquid° value of -250.3±1.8 kj/mol from Good, 1972 and ΔvapH° value of 41.6 kj/mol from Prosen and Rossini, 1945.; DRB |
ΔfH°gas | -49.82 ± 0.16 | kcal/mol | Ccb | Prosen and Rossini, 1945 | see Prosen and Rossini, 1944; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 111.63 ± 0.22 | cal/mol*K | N/A | Scott D.W., 1974 | This reference does not contain the original experimental data. Experimental entropy value is based on the results [ Messerly J.F., 1967] for S(liquid).; GT |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
55.63 ± 0.11 | 385.65 | Hossenlopp I.A., 1981 | Please also see Barrow G.M., 1951.; GT |
57.11 ± 0.11 | 398.15 | ||
58.000 | 405.7 | ||
59.89 ± 0.12 | 423.15 | ||
62.86 ± 0.13 | 448.15 | ||
64.699 | 462.5 | ||
65.69 ± 0.13 | 473.15 | ||
68.35 ± 0.14 | 498.15 | ||
70.600 | 522.7 | ||
70.98 ± 0.14 | 523.15 |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
34.601 | 200. | Scott D.W., 1974, 2 | Recommended values were obtained from the consistent correlation scheme for alkanes [ Scott D.W., 1974, Scott D.W., 1974, 2]. This approach gives a better agreement with experimental data than the statistical thermodynamics calculation [ Pitzer K.S., 1944, Pitzer K.S., 1946].; GT |
41.991 | 273.15 | ||
44.88 ± 0.1 | 298.15 | ||
45.100 | 300. | ||
57.299 | 400. | ||
68.549 | 500. | ||
78.100 | 600. | ||
86.099 | 700. | ||
92.801 | 800. | ||
98.401 | 900. | ||
103.10 | 1000. | ||
107.20 | 1100. | ||
110.70 | 1200. | ||
114.00 | 1300. | ||
117.00 | 1400. | ||
119.00 | 1500. |
Phase change data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 398.7 ± 0.5 | K | AVG | N/A | Average of 75 out of 89 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 216.3 ± 0.3 | K | AVG | N/A | Average of 39 out of 41 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 216.2 ± 0.6 | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 568.9 ± 0.5 | K | AVG | N/A | Average of 23 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 24.6 ± 0.1 | atm | AVG | N/A | Average of 12 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.492 | l/mol | N/A | Ambrose and Tsonopoulos, 1995 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.034 ± 0.007 | mol/l | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 10. ± 1. | kcal/mol | AVG | N/A | Average of 10 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.224 | 398.8 | N/A | Majer and Svoboda, 1985 | |
9.42 | 338. | EB | Ewing and Ochoa, 2003 | Based on data from 323. to 563. K.; AC |
9.80 | 312. | A | Stephenson and Malanowski, 1987 | Based on data from 297. to 400. K.; AC |
10.6 | 263. | A | Stephenson and Malanowski, 1987 | Based on data from 216. to 278. K.; AC |
8.68 | 411. | A | Stephenson and Malanowski, 1987 | Based on data from 396. to 432. K.; AC |
8.48 | 443. | A | Stephenson and Malanowski, 1987 | Based on data from 428. to 510. K.; AC |
8.34 | 521. | A | Stephenson and Malanowski, 1987 | Based on data from 506. to 569. K.; AC |
9.85 | 310. | N/A | Paul, Krug, et al., 1986 | Based on data from 295. to 402. K.; AC |
10.0 | 313. | N/A | Michou-Saucet, Jose, et al., 1984 | Based on data from 298. to 333. K.; AC |
9.68 ± 0.02 | 313. | C | Majer, Svoboda, et al., 1979 | AC |
9.35 ± 0.02 | 333. | C | Majer, Svoboda, et al., 1979 | AC |
9.03 ± 0.02 | 353. | C | Majer, Svoboda, et al., 1979 | AC |
10.3 | 282. | N/A | Carruth and Kobayashi, 1973 | Based on data from 217. to 297. K.; AC |
9.08 ± 0.02 | 311. | C | McKay and Sage, 1960 | AC |
8.77 ± 0.02 | 328. | C | McKay and Sage, 1960 | AC |
8.46 ± 0.02 | 344. | C | McKay and Sage, 1960 | AC |
9.37 | 341. | MM | Willingham, Taylor, et al., 1945 | Based on data from 326. to 400. K.; AC |
Enthalpy of vaporization
ΔvapH = A exp(-αTr)
(1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | 298. to 426. |
---|---|
A (kcal/mol) | 13.97 |
α | 0.1834 |
β | 0.3324 |
Tc (K) | 568.8 |
Reference | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
216.59 to 297.10 | 5.1955 | 1936.281 | -20.143 | Carruth and Kobayashi, 1973 | Coefficents calculated by NIST from author's data. |
326.08 to 399.72 | 4.04296 | 1355.126 | -63.633 | Williamham, Taylor, et al., 1945 |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
16.3 | 216. | B | Bondi, 1963 | AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
4.9570 | 216.38 | N/A | Finke, Gross, et al., 1954 | DH |
5.21 | 216.6 | DSC | Mondieig, Rajabalee, et al., 2004 | AC |
4.957 | 216.4 | N/A | Domalski and Hearing, 1996 | AC |
4.9359 | 215.8 | N/A | Huffman, Parks, et al., 1931 | DH |
4.8021 | 215.6 | N/A | Parks, Huffman, et al., 1930 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
22.91 | 216.38 | Finke, Gross, et al., 1954 | DH |
22.9 | 215.8 | Huffman, Parks, et al., 1931 | DH |
22.27 | 215.6 | Parks, Huffman, et al., 1930 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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: C8H16 + H2 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -30. ± 2. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
By formula: H2 + C8H16 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28.25 ± 0.1 | kcal/mol | Chyd | Rogers, Dejroongruang, et al., 1992 | liquid phase; solvent: Cyclohexane |
ΔrH° | -28.62 ± 0.52 | kcal/mol | Chyd | Rogers and Siddiqui, 1975 | liquid phase; solvent: n-Hexane |
ΔrH° | -27.39 ± 0.14 | kcal/mol | Chyd | Turner, Jarrett, et al., 1973 | liquid phase; solvent: Acetic acid |
By formula: 2H2 + C8H14 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -64.22 ± 0.26 | kcal/mol | Chyd | Rogers, Dagdagan, et al., 1979 | liquid phase; solvent: Hexane |
ΔrH° | -62.80 ± 0.16 | kcal/mol | Chyd | Turner, Jarrett, et al., 1973 | liquid phase; solvent: Acetic acid |
ΔrH° | -62.8 | kcal/mol | Chyd | Sicher, Svoboda, et al., 1966 | liquid phase; solvent: Acetic acid |
By formula: 2H2 + C8H14 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -69.55 ± 0.47 | kcal/mol | Chyd | Molnar, Rachford, et al., 1984 | liquid phase; solvent: Dioxane |
ΔrH° | -69.15 ± 0.65 | kcal/mol | Chyd | Rogers, Dagdagan, et al., 1979 | liquid phase; solvent: Hexane |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.73 ± 0.21 | kcal/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.25 ± 0.22 | kcal/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.61 ± 0.19 | kcal/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.44 ± 0.19 | kcal/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.14 ± 0.17 | kcal/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.89 ± 0.16 | kcal/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.67 ± 0.28 | kcal/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.73 ± 0.18 | kcal/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.53 ± 0.28 | kcal/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.85 ± 0.17 | kcal/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.49 ± 0.29 | kcal/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.70 ± 0.28 | kcal/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.24 ± 0.25 | kcal/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.89 ± 0.26 | kcal/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.25 ± 0.32 | kcal/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -4.50 ± 0.38 | kcal/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.05 ± 0.22 | kcal/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: H2 + C8H16 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -27.6 ± 0.2 | kcal/mol | Chyd | Rogers, Dejroongruang, et al., 1992 | liquid phase; solvent: Cyclohexane |
By formula: H2 + C8H16 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28.15 ± 0.1 | kcal/mol | Chyd | Rogers, Dejroongruang, et al., 1992 | liquid phase; solvent: Cyclohexane |
By formula: H2 + C8H16 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -27.49 ± 0.1 | kcal/mol | Chyd | Rogers, Dejroongruang, et al., 1992 | liquid phase; solvent: Cyclohexane |
By formula: H2 + C8H16 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -27.68 ± 0.1 | kcal/mol | Chyd | Rogers, Dejroongruang, et al., 1992 | liquid phase; solvent: Cyclohexane |
By formula: 2H2 + C8H14 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -64.80 ± 0.19 | kcal/mol | Chyd | Rogers, Dagdagan, et al., 1979 | liquid phase; solvent: Hexane |
By formula: H2 + C8H16 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28.54 ± 0.26 | kcal/mol | Chyd | Rogers, Dejroongruang, et al., 1992 | liquid phase; solvent: Cyclohexane |
By formula: 2H2 + C8H14 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -65.10 ± 0.11 | kcal/mol | Chyd | Rogers, Dagdagan, et al., 1979 | liquid phase; solvent: Hexane |
By formula: 4H2 + C8H10 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -139.7 ± 1.2 | kcal/mol | Chyd | Flitcroft, Skinner, et al., 1957 | liquid phase |
By formula: 3H2 + C8H12 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -93.4 ± 1.5 | kcal/mol | Chyd | Flitcroft and Skinner, 1958 | liquid phase |
By formula: 4H2 + C8H10 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -138.0 | kcal/mol | Chyd | Roth, Scholz, et al., 1982 | liquid phase |
By formula: C8H18 = H2 + C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.192 | kcal/mol | Eqk | Eliseev, 1986 | liquid phase |
By formula: C8H18 = H2 + C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.260 | kcal/mol | Eqk | Eliseev, 1986 | liquid phase |
By formula: C8H18 = H2 + C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.261 | kcal/mol | Eqk | Eliseev, 1986 | liquid phase |
By formula: C8H18 = H2 + C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.261 | kcal/mol | Eqk | Eliseev, 1986 | liquid phase |
By formula: C8H18 = H2 + C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.191 | kcal/mol | Eqk | Eliseev, 1986 | liquid phase |
By formula: C8H18 = H2 + C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.260 | kcal/mol | Eqk | Eliseev, 1986 | liquid phase |
By formula: C8H18 = C8H16 + H2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.000 | kcal/mol | Eqk | Eliseev, 1986 | liquid phase |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.80 ± 0.15 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.01 | EST | Luo and Pacey, 1992 | LL |
9.80 ± 0.10 | EVAL | Lias, 1982 | LBLHLM |
9.71 ± 0.15 | EQ | Mautner(Meot-Ner), Sieck, et al., 1981 | LLK |
9.79 | EQ | Lias, Ausloos, et al., 1976 | LLK |
10.25 | EI | Potzinger and Bunau, 1969 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C2H5+ | 13.44 | ? | EI | Potzinger and Bunau, 1969 | RDSH |
C3H7+ | 11.89 | ? | EI | Potzinger and Bunau, 1969 | RDSH |
C4H8+ | 11.19 ± 0.07 | C4H10 | PI | Steiner, Giese, et al., 1961 | RDSH |
C4H9+ | 11.12 | n-C4H9? | EI | Potzinger and Bunau, 1969 | RDSH |
C4H9+ | 11.40 ± 0.07 | n-C4H9? | PI | Steiner, Giese, et al., 1961 | RDSH |
C5H10+ | 11.08 ± 0.03 | C3H8 | PI | Steiner, Giese, et al., 1961 | RDSH |
C5H11+ | 11.03 | C3H7 | EI | Potzinger and Bunau, 1969 | RDSH |
C5H11+ | 11.22 ± 0.085 | C3H7 | PI | Steiner, Giese, et al., 1961 | RDSH |
C6H12+ | 10.29 | C2H6 | EI | Lewis and Hamill, 1970 | RDSH |
C6H12+ | 10.81 ± 0.03 | C2H6 | PI | Steiner, Giese, et al., 1961 | RDSH |
C6H13+ | 10.91 ± 0.035 | C2H5 | PI | Steiner, Giese, et al., 1961 | RDSH |
C7H15+ | ~10.90 ± 0.10 | CH3 | PI | Steiner, Giese, et al., 1961 | RDSH |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW- 660 |
NIST MS number | 229407 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Good, 1972
Good, W.D.,
The enthalpies of combustion and formation of n-octane and 2,2,3,3-tetramethylbutane,
J. Chem. Thermodyn., 1972, 4, 709-714. [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]
Prosen and Rossini, 1944
Prosen, E.J.; Rossini, F.D.,
Heats of combustion of eight normal paraffin hydrocarbons in the liquid state,
J. Res. NBS, 1944, 33, 255-272. [all data]
Scott D.W., 1974
Scott D.W.,
Correlation of the chemical thermodynamic properties of alkane hydrocarbons,
J. Chem. Phys., 1974, 60, 3144-3165. [all data]
Messerly J.F., 1967
Messerly J.F.,
Low-temperature thermal data for n-pentane, n-heptadecane, and n-octadecane. Revised thermodynamic functions for the n-alkanes, C5-C18,
J. Chem. Eng. Data, 1967, 12, 338-346. [all data]
Hossenlopp I.A., 1981
Hossenlopp I.A.,
Vapor heat capacities and enthalpies of vaporization of five alkane hydrocarbons,
J. Chem. Thermodyn., 1981, 13, 415-421. [all data]
Barrow G.M., 1951
Barrow G.M.,
Experimental vapor heat capacities and heats of vaporization of seven octanes,
J. Am. Chem. Soc., 1951, 73, 1824-1826. [all data]
Scott D.W., 1974, 2
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]
Pitzer K.S., 1944
Pitzer K.S.,
Thermodynamics of gaseous paraffins. Specific heat and related properties,
Ind. Eng. Chem., 1944, 36, 829-831. [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]
Ambrose and Tsonopoulos, 1995
Ambrose, D.; Tsonopoulos, C.,
Vapor-Liquid Critical Properties of Elements and Compounds. 2. Normal Alkenes,
J. Chem. Eng. Data, 1995, 40, 531-546. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
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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 Pc Critical pressure S°gas Entropy of gas at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrH° Enthalpy of reaction at standard conditions ΔsubH Enthalpy of sublimation 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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