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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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 | -208.7 | kJ/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 | -208.4 ± 0.67 | kJ/mol | Ccb | Prosen and Rossini, 1945 | see Prosen and Rossini, 1944; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 467.06 ± 0.92 | J/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 (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
232.74 ± 0.47 | 385.65 | Hossenlopp I.A., 1981 | Please also see Barrow G.M., 1951.; GT |
238.95 ± 0.48 | 398.15 | ||
242.67 | 405.7 | ||
250.59 ± 0.50 | 423.15 | ||
263.02 ± 0.53 | 448.15 | ||
270.70 | 462.5 | ||
274.84 ± 0.55 | 473.15 | ||
285.98 ± 0.57 | 498.15 | ||
295.39 | 522.7 | ||
297.00 ± 0.59 | 523.15 |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
144.77 | 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 |
175.69 | 273.15 | ||
187.8 ± 0.4 | 298.15 | ||
188.70 | 300. | ||
239.74 | 400. | ||
286.81 | 500. | ||
326.77 | 600. | ||
360.24 | 700. | ||
388.28 | 800. | ||
411.71 | 900. | ||
431.37 | 1000. | ||
448.52 | 1100. | ||
463.17 | 1200. | ||
476.98 | 1300. | ||
489.53 | 1400. | ||
497.90 | 1500. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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:
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 | -250.3 ± 1.8 | kJ/mol | Ccb | Good, 1972 | ALS |
ΔfH°liquid | -250.0 ± 0.84 | kJ/mol | Ccb | Prosen and Rossini, 1945 | see Prosen and Rossini, 1944; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -5430. ± 100. | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 361.20 | J/mol*K | N/A | Finke, Gross, et al., 1954 | DH |
S°liquid | 359.8 | J/mol*K | N/A | Huffman, Parks, et al., 1931 | Extrapolation below 90 K, 75.73 J/mol*K.; DH |
S°liquid | 359.8 | J/mol*K | N/A | Parks, Huffman, et al., 1930 | Extrapolation below 90 K, 77.19 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
254.7 | 299. | Czarnota, 1993 | DH |
262.20 | 318.15 | Banipal, Garg, et al., 1991 | T = 318 to 373 K. p = 0.1 MPa.; DH |
255.68 | 298.15 | Trejo, Costas, et al., 1991 | DH |
255.68 | 298.15 | Andreoli-Ball, Patterson, et al., 1988 | DH |
255.68 | 298.15 | Perez-Casas, Aicart, et al., 1988 | DH |
254.11 | 298.15 | Benson and D'Arcy, 1986 | DH |
255.68 | 298.15 | Tardajos, Aicart, et al., 1986 | DH |
254.18 | 298.15 | Lainez, Grolier, et al., 1985 | DH |
253.72 | 298.15 | Lainez, Rodrigo, et al., 1985 | DH |
252.4 | 297.54 | Grigor'ev and Andolenko, 1984 | T = 297 to 410 K. Unsmoothed experimental datum given as 2.210 KJ/kg*K.; DH |
254.02 | 298.15 | Roux, Grolier, et al., 1984 | DH |
252.4 | 298. | Zaripov, 1982 | T = 298, 323, 363 K.; DH |
254.07 | 298.15 | Grolier, Inglese, et al., 1981 | DH |
252.92 | 298.15 | Shakirov and Lyubarskii, 1980 | T = 65 to 300 K.; DH |
253.2 | 298. | Grigor'ev, Rastorguev, et al., 1975 | T = 305 to 463 K.; DH |
254.14 | 298.15 | Finke, Gross, et al., 1954 | T = 12 to 300 K.; DH |
253.93 | 299.8 | Connolly, Sage, et al., 1951 | T = 80 to 200 F.; DH |
253.89 | 298.15 | Osborne and Ginnings, 1947 | T = 293 to 318 K.; DH |
251.5 | 298.3 | Huffman, Parks, et al., 1931 | T = 92 to 298 K. Value is unsmoothed experimental datum.; DH |
247.7 | 293.7 | Parks, Huffman, et al., 1930 | T = 85 to 294 K. Value is unsmoothed experimental datum.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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 | 24.9 ± 0.1 | bar | 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° | 41. ± 4. | kJ/mol | AVG | N/A | Average of 10 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
34.41 | 398.8 | N/A | Majer and Svoboda, 1985 | |
39.4 | 338. | EB | Ewing and Ochoa, 2003 | Based on data from 323. to 563. K.; AC |
41.0 | 312. | A | Stephenson and Malanowski, 1987 | Based on data from 297. to 400. K.; AC |
44.4 | 263. | A | Stephenson and Malanowski, 1987 | Based on data from 216. to 278. K.; AC |
36.3 | 411. | A | Stephenson and Malanowski, 1987 | Based on data from 396. to 432. K.; AC |
35.5 | 443. | A | Stephenson and Malanowski, 1987 | Based on data from 428. to 510. K.; AC |
34.9 | 521. | A | Stephenson and Malanowski, 1987 | Based on data from 506. to 569. K.; AC |
41.2 | 310. | N/A | Paul, Krug, et al., 1986 | Based on data from 295. to 402. K.; AC |
41.9 | 313. | N/A | Michou-Saucet, Jose, et al., 1984 | Based on data from 298. to 333. K.; AC |
40.5 ± 0.1 | 313. | C | Majer, Svoboda, et al., 1979 | AC |
39.1 ± 0.1 | 333. | C | Majer, Svoboda, et al., 1979 | AC |
37.8 ± 0.1 | 353. | C | Majer, Svoboda, et al., 1979 | AC |
43.0 | 282. | N/A | Carruth and Kobayashi, 1973 | Based on data from 217. to 297. K.; AC |
38.0 ± 0.1 | 311. | C | McKay and Sage, 1960 | AC |
36.7 ± 0.1 | 328. | C | McKay and Sage, 1960 | AC |
35.4 ± 0.1 | 344. | C | McKay and Sage, 1960 | AC |
39.2 | 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)
(kJ/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | 298. to 426. |
---|---|
A (kJ/mol) | 58.46 |
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 (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
216.59 to 297.10 | 5.2012 | 1936.281 | -20.143 | Carruth and Kobayashi, 1973 | Coefficents calculated by NIST from author's data. |
326.08 to 399.72 | 4.04867 | 1355.126 | -63.633 | Williamham, Taylor, et al., 1945 |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
68.1 | 216. | B | Bondi, 1963 | AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
20.740 | 216.38 | N/A | Finke, Gross, et al., 1954 | DH |
21.8 | 216.6 | DSC | Mondieig, Rajabalee, et al., 2004 | AC |
20.74 | 216.4 | N/A | Domalski and Hearing, 1996 | AC |
20.652 | 215.8 | N/A | Huffman, Parks, et al., 1931 | DH |
20.092 | 215.6 | N/A | Parks, Huffman, et al., 1930 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
95.85 | 216.38 | Finke, Gross, et al., 1954 | DH |
95.7 | 215.8 | Huffman, Parks, et al., 1931 | DH |
93.19 | 215.6 | Parks, Huffman, et al., 1930 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, 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° | -125. ± 6. | kJ/mol | AVG | N/A | Average of 7 values; Individual data points |
By formula: H2 + C8H16 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -118.2 ± 0.4 | kJ/mol | Chyd | Rogers, Dejroongruang, et al., 1992 | liquid phase; solvent: Cyclohexane |
ΔrH° | -119.7 ± 2.2 | kJ/mol | Chyd | Rogers and Siddiqui, 1975 | liquid phase; solvent: n-Hexane |
ΔrH° | -114.6 ± 0.59 | kJ/mol | Chyd | Turner, Jarrett, et al., 1973 | liquid phase; solvent: Acetic acid |
By formula: 2H2 + C8H14 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -268.7 ± 1.1 | kJ/mol | Chyd | Rogers, Dagdagan, et al., 1979 | liquid phase; solvent: Hexane |
ΔrH° | -262.8 ± 0.67 | kJ/mol | Chyd | Turner, Jarrett, et al., 1973 | liquid phase; solvent: Acetic acid |
ΔrH° | -263. | kJ/mol | Chyd | Sicher, Svoboda, et al., 1966 | liquid phase; solvent: Acetic acid |
By formula: 2H2 + C8H14 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -291.0 ± 2.0 | kJ/mol | Chyd | Molnar, Rachford, et al., 1984 | liquid phase; solvent: Dioxane |
ΔrH° | -289.3 ± 2.7 | kJ/mol | Chyd | Rogers, Dagdagan, et al., 1979 | liquid phase; solvent: Hexane |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -3.1 ± 0.88 | kJ/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -5.23 ± 0.92 | kJ/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.6 ± 0.79 | kJ/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.8 ± 0.79 | kJ/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.59 ± 0.71 | kJ/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -12.1 ± 0.67 | kJ/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.8 ± 1.2 | kJ/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -7.24 ± 0.75 | kJ/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -10.6 ± 1.2 | kJ/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -7.74 ± 0.71 | kJ/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.1 ± 1.2 | kJ/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -7.1 ± 1.2 | kJ/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -9.4 ± 1.0 | kJ/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -3.7 ± 1.1 | kJ/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -5.2 ± 1.3 | kJ/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -18.8 ± 1.6 | kJ/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.2 ± 0.92 | kJ/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
By formula: H2 + C8H16 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -115.5 ± 0.7 | kJ/mol | Chyd | Rogers, Dejroongruang, et al., 1992 | liquid phase; solvent: Cyclohexane |
By formula: H2 + C8H16 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -117.8 ± 0.4 | kJ/mol | Chyd | Rogers, Dejroongruang, et al., 1992 | liquid phase; solvent: Cyclohexane |
By formula: H2 + C8H16 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -115.0 ± 0.4 | kJ/mol | Chyd | Rogers, Dejroongruang, et al., 1992 | liquid phase; solvent: Cyclohexane |
By formula: H2 + C8H16 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -115.8 ± 0.4 | kJ/mol | Chyd | Rogers, Dejroongruang, et al., 1992 | liquid phase; solvent: Cyclohexane |
By formula: 2H2 + C8H14 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -271.1 ± 0.79 | kJ/mol | Chyd | Rogers, Dagdagan, et al., 1979 | liquid phase; solvent: Hexane |
By formula: H2 + C8H16 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -119.4 ± 1.1 | kJ/mol | Chyd | Rogers, Dejroongruang, et al., 1992 | liquid phase; solvent: Cyclohexane |
By formula: 2H2 + C8H14 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -272.4 ± 0.46 | kJ/mol | Chyd | Rogers, Dagdagan, et al., 1979 | liquid phase; solvent: Hexane |
By formula: 4H2 + C8H10 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -584.5 ± 5.0 | kJ/mol | Chyd | Flitcroft, Skinner, et al., 1957 | liquid phase |
By formula: 3H2 + C8H12 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -391. ± 6.3 | kJ/mol | Chyd | Flitcroft and Skinner, 1958 | liquid phase |
By formula: 4H2 + C8H10 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -577.4 | kJ/mol | Chyd | Roth, Scholz, et al., 1982 | liquid phase |
By formula: C8H18 = H2 + C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 113.77 | kJ/mol | Eqk | Eliseev, 1986 | liquid phase |
By formula: C8H18 = H2 + C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 118.24 | kJ/mol | Eqk | Eliseev, 1986 | liquid phase |
By formula: C8H18 = H2 + C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 114.06 | kJ/mol | Eqk | Eliseev, 1986 | liquid phase |
By formula: C8H18 = H2 + C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 114.06 | kJ/mol | Eqk | Eliseev, 1986 | liquid phase |
By formula: C8H18 = H2 + C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 117.95 | kJ/mol | Eqk | Eliseev, 1986 | liquid phase |
By formula: C8H18 = H2 + C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 118.24 | kJ/mol | Eqk | Eliseev, 1986 | liquid phase |
By formula: C8H18 = C8H16 + H2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 125.52 | kJ/mol | Eqk | Eliseev, 1986 | liquid phase |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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 |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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
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The enthalpies of combustion and formation of n-octane and 2,2,3,3-tetramethylbutane,
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Heats of combustion and formation of the paraffin hydrocarbons at 25° C,
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Prosen and Rossini, 1944
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Heats of combustion of eight normal paraffin hydrocarbons in the liquid state,
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Scott D.W., 1974
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Correlation of the chemical thermodynamic properties of alkane hydrocarbons,
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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,
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Hossenlopp I.A., 1981
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Vapor heat capacities and enthalpies of vaporization of five alkane hydrocarbons,
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Barrow G.M.,
Experimental vapor heat capacities and heats of vaporization of seven octanes,
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Scott D.W., 1974, 2
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Pitzer K.S., 1944
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Thermodynamics of gaseous paraffins. Specific heat and related properties,
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Pitzer K.S., 1946
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The entropies and related properties of branched paraffin hydrocarbons,
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Finke, Gross, et al., 1954
Finke, H.L.; Gross, M.E.; Waddington, G.; Huffman, H.M.,
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Huffman, H.M.; Parks, G.S.; Barmore, M.,
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Heat capacity of octane at high pressures,
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Banipal, T.S.; Garg, S.K.; Ahluwalia, J.C.,
Heat capacities and densities of liquid n-octane, n-nonane, n-decane, and n-hexadecane at temperatures from 318.15 to 373.15 K and at pressures up to 10 MPa,
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Heat capacities of binary mixtures of n-octane with each of the hexane isomers at 298.15 K,
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Tardajos, G.; Aicart, E.; Costas, M.; Patterson, D.,
Liquid structure and second-order mixing functions for benzene, toluene, and p-xylene with n-alkanes, J. Chem. Soc.,
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Lainez, Grolier, et al., 1985
Lainez, A.; Grolier, J.-P.E.; Wilhelm, E.,
Excess molar heat capacity and excess molar volume of 1,6-dichlorohexane + n-octane,
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Lainez, Rodrigo, et al., 1985
Lainez, A.; Rodrigo, M.; Roux, A.H.; Grolier, J.-P.E.; Wilhelm, E.,
Relations between structure and thermodynamic properties. Heat capacities of polar substances (nitrobenzene and benzonitrile) in alkane solutions,
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Grigor'ev and Andolenko, 1984
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Investigation of the isobaric heat capacity of n-paraffinic hydrocarbons at atmospheric pressure, Izv. Vyssh. Ucheb. Zaved.,
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Roux, Grolier, et al., 1984
Roux, A.H.; Grolier, J.-P.E.; Inglese, A.; Wilhelm, E.,
Excess molar enthalpies, excess molar heat capacities and excess molar volumes of (fluorobenzene + an n-alkane),
Ber. Bunsenges. Phys. Chem., 1984, 88, 986-992. [all data]
Zaripov, 1982
Zaripov, Z.I.,
Experimental study of the isobaric heat capacity of liquid organic compounds with molecular weights of up to 4000 a.e.m., 1982, Teplomassoobmen Teplofiz. [all data]
Grolier, Inglese, et al., 1981
Grolier, J.P.E.; Inglese, A.; Roux, A.H.; Wilhelm, E.,
Thermodynamics of (1-chloronaphthalene + n-alkane): excess enthalpies, excess volumes and excess heat capacities,
Ber. Bunsenges. Phys. Chem., 1981, 85, 768-772. [all data]
Shakirov and Lyubarskii, 1980
Shakirov, R.F.; Lyubarskii, M.V.,
Low-temperature heat capacity and thermodynamic functions of methyl trichlorothioacrylate,
SPSTL Deposited Publication 3 KhP-D80, 1980, 19p. [all data]
Grigor'ev, Rastorguev, et al., 1975
Grigor'ev, B.A.; Rastorguev, Yu.L.; Yanin, G.S.,
Experimental determination of the isobaric specific heat of n-alkanes,
Iz. Vyssh. Uchebn. Zaved. Neft Gaz 18, 1975, No.10, 63-66. [all data]
Connolly, Sage, et al., 1951
Connolly, T.J.; Sage, B.H.; Lacey, W.N.,
Isobaric heat capacities at bubble point. n-Hexane, methylcyclopentane, and n-octane,
Ind. Eng. Chem., 1951, 43, 946-950. [all data]
Osborne and Ginnings, 1947
Osborne, N.S.; Ginnings, D.C.,
Measurements of heat of vaporization and heat capacity of a number of hydrocarbons,
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Ambrose and Tsonopoulos, 1995
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Vapor-Liquid Critical Properties of Elements and Compounds. 2. Normal Alkenes,
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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]
Ewing and Ochoa, 2003
Ewing, M.B.; Ochoa, J.C. Sanchez,
The vapour pressures of n-octane determined using comparative ebulliometry,
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. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
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. [all data]
Paul, Krug, et al., 1986
Paul, Hanns-Ingolf; Krug, Joseph; Knapp, Helmut,
Measurements of VLE, hE and vE for binary mixtures of n-alkanes with n-alkylbenzenes,
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. [all data]
Michou-Saucet, Jose, et al., 1984
Michou-Saucet, Marie-Annie; Jose, Jacques; Michou-Saucet, Christian; Merlin, J.C.,
Pressions de vapeur et enthalpies libres d'exces de systemes binaires: Hexamethylphosphorotriamide (HMPT) + n-hexane; n-heptane; n-octane: A 298,15 K; 303,15 K; 313,15 K; 323,15 K; 333,15 K,
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. [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,
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Carruth and Kobayashi, 1973
Carruth, Grant F.; Kobayashi, Riki,
Vapor pressure of normal paraffins ethane through n-decane from their triple points to about 10 mm mercury,
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McKay and Sage, 1960
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Latent Heat of Vaporization for n-Octane.,
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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,
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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,
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Bondi, 1963
Bondi, A.,
Heat of Siblimation of Molecular Crystals: A Catalog of Molecular Structure Increments.,
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Mondieig, Rajabalee, et al., 2004
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n -Alkane Binary Molecular Alloys,
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Rogers, Dejroongruang, et al., 1992
Rogers, D.W.; Dejroongruang, K.; Samuel, S.D.; Fang, W.; Zhao, Y.,
Enthalpies of hydrogenation of the octenes and the methylheptenes,
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Rogers and Siddiqui, 1975
Rogers, D.W.; Siddiqui, N.A.,
Heats of hydrogenation of large molecules. I. Esters of unsaturated fatty acids,
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Turner, Jarrett, et al., 1973
Turner, R.B.; Jarrett, A.D.; Goebel, P.; Mallon, B.J.,
Heats of hydrogenation. 9. Cyclic acetylenes and some miscellaneous olefins,
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Rogers, Dagdagan, et al., 1979
Rogers, D.W.; Dagdagan, O.A.; Allinger, N.L.,
Heats of hydrogenation and formation of linear alkynes and a molecular mechanics interpretation,
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Sicher, Svoboda, et al., 1966
Sicher, J.; Svoboda, M.; Zavada, J.; Turner, R.B.; Goebel, P.,
Sterochemical studies - XXXVI. An approach to conformational analysis of medium ring compounds. Unsaturated ten-membered ring derivates,
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Molnar, Rachford, et al., 1984
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Heats of hydrogenation by a simple and rapid flow calorimetric method,
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Prosen and Rossini, 1945, 2
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Heats of isomerization of the 18 octanes,
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Flitcroft, Skinner, et al., 1957
Flitcroft, T.; Skinner, H.A.; Whiting, M.C.,
Heats of hydrogenation Part 1.-Dodeca-3:9 and -5:7 Diynes,
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Flitcroft and Skinner, 1958
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Heats of hydrogenation Part 2.-Acetylene derivatives,
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Roth, Scholz, et al., 1982
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Thermolysis of 1,2,6,7-octatetraene,
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Eliseev, 1986
Eliseev, N.A.,
Thermodynamic calculation of the equilibrium composition of isomeric octenes in dehydrogenation of n-octane,
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Potzinger and Bunau, 1969
Potzinger, P.; Bunau, G.v.,
Empirische Beruksichtigung von Uberschussenergien bei der Auftrittspotentialbestimmung,
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Photoionization of alkanes. Dissociation of excited molecular ions,
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Excited states of neutral molecular fragments from appearance potentials by electron impact in a mass spectrometer,
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Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy 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 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 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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