Ethylbenzene
- Formula: C8H10
- Molecular weight: 106.1650
- IUPAC Standard InChIKey: YNQLUTRBYVCPMQ-UHFFFAOYSA-N
- CAS Registry Number: 100-41-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: Benzene, ethyl-; Ethylbenzol; EB; Phenylethane; Aethylbenzol; Ethylbenzeen; Etilbenzene; Etylobenzen; NCI-C56393; UN 1175; α-Methyltoluene; NSC 406903
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
- NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
- NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 7.12 ± 0.20 | kcal/mol | Ccb | Prosen, Gilmont, et al., 1945 | Hf by Prosen, Johnson, et al., 1946; ALS |
ΔfH°gas | 11.7 ± 0.96 | kcal/mol | Ccb | N/A | Value computed using ΔfHliquid° from missing citation and ΔvapH° value of 10.1 kcal/mol from missing citation. recalculated with modern CO2,H2O thermo; estimated uncertainty (NOTE all values in source also have wrong sign); DRB |
ΔfH°gas | 16.6 | kcal/mol | N/A | Moureu and Andre, 1914 | Value computed using ΔfHliquid° value of 27.0 kj/mol from Moureu and Andre, 1914 and ΔvapH° value of 42.3 kj/mol from Prosen, Gilmont, et al., 1945.; DRB |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 86.2 ± 0.1 | cal/mol*K | N/A | Miller A., 1978 | S(298.16 K)=361.5 J/mol*K was obtained from earlier experimental data [ Guttman L., 1943].; GT |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.60 | 50. | Thermodynamics Research Center, 1997 | Recommended values are in good agreement with other statistically calculated data [ Miller A., 1978, Taylor W.J., 1946].; GT |
13.80 | 100. | ||
17.29 | 150. | ||
21.16 | 200. | ||
27.935 | 273.15 | ||
30.449 | 298.15 | ||
30.638 | 300. | ||
40.619 | 400. | ||
49.374 | 500. | ||
56.585 | 600. | ||
62.502 | 700. | ||
67.419 | 800. | ||
71.551 | 900. | ||
75.057 | 1000. | ||
78.050 | 1100. | ||
80.609 | 1200. | ||
82.811 | 1300. | ||
84.706 | 1400. | ||
86.346 | 1500. |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
38.06 ± 0.19 | 373.15 | Hossenlopp I.A., 1981 | Heat capacities determined from acoustical measurements [ Colgate S.O., 1990] (124.98, 138.21, 158.84, and 173.88 J/mol*K at 298.15, 323.15, 373.15, and 408.15 K, respectively) are slightly lower than calorimetric ones. Please also see Scott R.B., 1945.; GT |
39.257 ± 0.079 | 385.65 | ||
40.452 ± 0.081 | 398.15 | ||
42.772 ± 0.086 | 423.15 | ||
45.000 ± 0.091 | 448.15 | ||
47.168 ± 0.093 | 473.15 | ||
49.221 ± 0.098 | 498.15 | ||
51.15 ± 0.10 | 523.15 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -2.98 ± 0.20 | kcal/mol | Ccb | Prosen, Gilmont, et al., 1945 | Hf by Prosen, Johnson, et al., 1946; ALS |
ΔfH°liquid | 1.6 ± 0.96 | kcal/mol | Ccb | N/A | recalculated with modern CO2,H2O thermo; estimated uncertainty (NOTE all values in source also have wrong sign); DRB |
ΔfH°liquid | 6.5 | kcal/mol | Ccb | Moureu and Andre, 1914 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1092. ± 4. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 60.949 | cal/mol*K | N/A | Guthrie, Spitzer, et al., 1944 | DH |
S°liquid | 61.21 | cal/mol*K | N/A | Huffman, Parks, et al., 1930 | Extrapolation below 90 K, 61.09 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
44.17 | 293.31 | Andolenko and Grigor'ev, 1979 | T = 293 to 393 K. Unsmoothed experimental datum given as 1.741 kJ/kg*K.; DH |
44.3528 | 298.15 | Fortier and Benson, 1979 | DH |
44.3497 | 298.15 | Fortier and Benson, 1977 | DH |
44.402 | 298.15 | Fortier, Benson, et al., 1976 | DH |
38.5 | 295. | Tschamler, 1948 | DH |
44.41 | 298. | Kurbatov, 1947 | T = 15 to 18 C, mean Cp, four temperatures.; DH |
44.465 | 298.15 | Scott and Brickwedde, 1945 | T = 15 to 300 K.; DH |
44.410 | 298.15 | Guthrie, Spitzer, et al., 1944 | T = 13 to 305 K.; DH |
42.71 | 302.8 | de Kolossowsky and Udowenko, 1934 | DH |
42.71 | 302.7 | Kolosovskii and Udovenko, 1934 | DH |
44.60 | 298.15 | Blacet, Leighton, et al., 1931 | T = 286 to 368 K. Heat capacity reported as 0.420 cal g-1 K-1 at 25 C.; DH |
43.91 | 298.5 | Smith and Andrews, 1931 | T = 102 to 299 K. Value is unsmoothed experimental datum.; DH |
43.40 | 297.4 | Huffman, Parks, et al., 1930 | T = 93 to 305 K. Value is unsmoothed experimental datum.; DH |
43.40 | 303. | Willams and Daniels, 1924 | T = 303 to 343 K. Equation only.; DH |
44.10 | 298. | von Reis, 1881 | T = 292 to 425 K.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law 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
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 409.3 ± 0.4 | K | AVG | N/A | Average of 79 out of 96 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 179. ± 2. | K | AVG | N/A | Average of 15 out of 16 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 178.15 | K | N/A | Scott and Brickwedde, 1945, 2 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 178. | K | N/A | Huffman, Parks, et al., 1930, 2 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 617. ± 2. | K | AVG | N/A | Average of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 35.9 ± 0.9 | atm | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.374 | l/mol | N/A | Tsonopoulos and Ambrose, 1995 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.68 ± 0.010 | mol/l | N/A | Tsonopoulos and Ambrose, 1995 | |
ρc | 2.670 | mol/l | N/A | Simon, 1957 | Uncertainty assigned by TRC = 0.04 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 10. ± 1. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.501 | 409.3 | N/A | Majer and Svoboda, 1985 | |
10.155 | 294.01 | N/A | Scott and Brickwedde, 1945 | DH |
9.99 | 313. | A | Stephenson and Malanowski, 1987 | Based on data from 298. to 420. K.; AC |
8.84 | 424. | A | Stephenson and Malanowski, 1987 | Based on data from 409. to 459. K.; AC |
8.56 | 472. | A | Stephenson and Malanowski, 1987 | Based on data from 457. to 554. K.; AC |
8.48 | 564. | A | Stephenson and Malanowski, 1987 | Based on data from 549. to 617. K.; AC |
9.70 | 335. | N/A | Paul, Krug, et al., 1986 | Based on data from 320. to 400. K.; AC |
9.68 ± 0.02 | 328. | C | Svoboda, Charvátová, et al., 1982 | AC |
9.44 ± 0.02 | 343. | C | Svoboda, Charvátová, et al., 1982 | AC |
9.23 ± 0.02 | 358. | C | Svoboda, Charvátová, et al., 1982 | AC |
9.56 | 345. | MM | Willingham, Taylor, et al., 1945 | Based on data from 330. to 410. K. See also Forziati, Norris, et al., 1949.; 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 |
---|---|---|---|---|---|
295. to 437. | 13.94 | 0.2823 | 617.1 | Majer and Svoboda, 1985 |
Entropy of vaporization
ΔvapS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
34.54 | 294.01 | Scott and Brickwedde, 1945 | DH |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
420.00 to 600.00 | 4.39965 | 1695.026 | -23.698 | Ambrose, Broderick, et al., 1967 | Coefficents calculated by NIST from author's data. |
329.74 to 410.27 | 4.06917 | 1419.315 | -60.539 | Williamham, Taylor, et al., 1945 |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.1945 | 178.15 | Scott and Brickwedde, 1945 | DH |
2.190 | 178.17 | Guthrie, Spitzer, et al., 1944 | DH |
2.19 | 178.2 | Domalski and Hearing, 1996 | AC |
2.190 | 178.0 | Huffman, Parks, et al., 1930 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
12.32 | 178.15 | Scott and Brickwedde, 1945 | DH |
12.29 | 178.17 | Guthrie, Spitzer, et al., 1944 | DH |
12.30 | 178.0 | Huffman, Parks, et al., 1930 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law 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:
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
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
C8H9- + =
By formula: C8H9- + H+ = C8H10
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 406.0 ± 4.6 | kcal/mol | CIDT | Graul and Squires, 1990 | gas phase; From decarboxylation threshold. Stable form probably the spiro[2.5]octadienide Maas and van Keelen, 1989; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 397.7 ± 4.7 | kcal/mol | H-TS | Graul and Squires, 1990 | gas phase; From decarboxylation threshold. Stable form probably the spiro[2.5]octadienide Maas and van Keelen, 1989; B |
C8H9- + =
By formula: C8H9- + H+ = C8H10
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 379.7 ± 2.1 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 373.3 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
By formula: 2H2 + C8H6 = C8H10
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -66.12 ± 0.06 | kcal/mol | Chyd | Davis, Allinger, et al., 1985 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -64.7 ± 0.9 | kcal/mol | Chyd | Rogers and McLafferty, 1971 | liquid phase; solvent: Hydrocarbon; ALS |
ΔrH° | -70.7 ± 1.0 | kcal/mol | Chyd | Flitcroft and Skinner, 1958 | liquid phase; ALS |
By formula: NO- + C8H10 = (NO- • C8H10)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44.5 | kcal/mol | ICR | Reents and Freiser, 1981 | gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M |
By formula: C8H10 + 3H2 = C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -48.18 ± 0.10 | kcal/mol | Chyd | Dolliver, Gresham, et al., 1937 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -48.9 ± 0.1 kcal/mol; At 355 °K; ALS |
By formula: Cl- + C8H10 = (Cl- • C8H10)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.00 | kcal/mol | TDEq | French, Ikuta, et al., 1982 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.0 | 300. | PHPMS | French, Ikuta, et al., 1982 | gas phase; M |
+
= C8H9Br +
By formula: C8H10 + C6H5Br = C8H9Br + C6H6
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.14 ± 0.0050 | kcal/mol | Cm | Merdzhanov, Alenin, et al., 1982 | gas phase; Heat of isomerization at 349 K; ALS |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28.01 ± 0.41 | kcal/mol | Chyd | Abboud, Jimenez, et al., 1995 | liquid phase; solvent: Hydrocarbon; Like gas phase; ALS |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29.840 | kcal/mol | Eqk | Ghosh, Ram Das Guha, et al., 1945 | gas phase; ALS |
Henry's Law data
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, Notes
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 |
---|---|---|---|---|
0.12 | 5100. | L | N/A | |
0.15 | 4600. | M | N/A | |
0.11 | Q | N/A | Several references are given in the list of Henry's law constants but not assigned to specific species. | |
0.13 | 4600. | M | N/A | |
0.12 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.11 | 5500. | X | N/A | |
0.12 | 5000. | X | N/A | |
0.16 | 1700. | X | N/A | |
0.13 | L | N/A | ||
0.14 | 5500. | X | N/A | |
0.12 | M | Mackay, Shiu, et al., 1979 | ||
0.11 | T | Mackay, Shiu, et al., 1979 | ||
0.12 | V | N/A | ||
0.17 | 6100. | M | N/A | |
0.15 | V | Bohon and Claussen, 1951 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
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
View reactions leading to C8H10+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 8.77 ± 0.01 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 188.3 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 181.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Proton affinity at 298K
Proton affinity (kcal/mol) | Reference | Comment |
---|---|---|
188.8 | Aue, Guidoni, et al., 2000 | Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM |
Gas basicity at 298K
Gas basicity (review) (kcal/mol) | Reference | Comment |
---|---|---|
181.7 | Aue, Guidoni, et al., 2000 | Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.77 | PE | Howell, Goncalves, et al., 1984 | LBLHLM |
8.61 | PE | Klasinc, Kovac, et al., 1983 | LBLHLM |
8.65 ± 0.10 | EI | Selim and Helal, 1982 | LBLHLM |
8.76 | EI | McLoughlin, Morrison, et al., 1979 | LLK |
8.768 ± 0.008 | EQ | Lias and Ausloos, 1978 | LLK |
8.75 ± 0.05 | PI | Akopyan and Vilesov, 1966 | RDSH |
8.76 ± 0.01 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
8.77 ± 0.01 | S | Hammond, Price, et al., 1950 | RDSH |
8.77 | PE | Howell, Goncalves, et al., 1984 | Vertical value; LBLHLM |
8.73 | PE | Klasinc, Kovac, et al., 1983 | Vertical value; LBLHLM |
9.38 | PE | Deshmukh, Dutta, et al., 1982 | Vertical value; LBLHLM |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C5H5+ | 16.2 ± 0.2 | C2H2+CH3 | EI | Tajima and Tsuchiya, 1973 | LLK |
C6H6+ | 11.0 ± 0.1 | C2H4? | PI | Akopyan and Vilesov, 1966 | RDSH |
C7H7+ | 9.9 ± 0.1 | CH3 | TRPI | Lifshitz and Malinovich, 1984 | LBLHLM |
C7H7+ | 10.15 ± 0.10 | CH3 | EI | Selim and Helal, 1982 | LBLHLM |
C7H7+ | 10.06 | CH3 | EI | McLoughlin, Morrison, et al., 1979 | LLK |
C7H7+ | 10.9 ± 0.1 | CH3 | PI | Akopyan and Vilesov, 1966 | RDSH |
C8H9+ | 10.60 | H | EI | McLoughlin, Morrison, et al., 1979 | LLK |
C8H9+ | 12.1 ± 0.1 | H | PI | Akopyan and Vilesov, 1966 | RDSH |
C8H9+ | 11.4 ± 0.1 | H | EI | Meyer, Haynes, et al., 1965 | RDSH |
De-protonation reactions
C8H9- + =
By formula: C8H9- + H+ = C8H10
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 406.0 ± 4.6 | kcal/mol | CIDT | Graul and Squires, 1990 | gas phase; From decarboxylation threshold. Stable form probably the spiro[2.5]octadienide Maas and van Keelen, 1989; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 397.7 ± 4.7 | kcal/mol | H-TS | Graul and Squires, 1990 | gas phase; From decarboxylation threshold. Stable form probably the spiro[2.5]octadienide Maas and van Keelen, 1989; B |
C8H9- + =
By formula: C8H9- + H+ = C8H10
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 379.7 ± 2.1 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 373.3 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Coblentz Society, Inc.
- GAS (10 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); PERKIN-ELMER 180; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 2 cm-1 resolution
- LIQUID (NEAT); PERKIN-ELMER; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 3800-1300, 10% IN CS2 FOR 1300-650, AND 10% CCl4 FOR 650-240 CM-1) VERSUS SOLVENT; PERKIN-ELMER 521 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty
- gas; IFS66V (Bruker); 3-Term B-H Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Boxcar Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Happ Genzel Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); NB Strong Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Triangular Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 114918 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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.
Prosen, Gilmont, et al., 1945
Prosen, E.J.; Gilmont, R.; Rossini, F.D.,
Heats of combustion of benzene, toluene, ethyl-benzene, o-xylene, m-xylene, p-xylene, n-propylbenzene, and styrene,
J. Res. NBS, 1945, 34, 65-70. [all data]
Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D.,
Heats of combustion and formation at 25°C of the alkylbenzenes through C10H14, and of the higher normal monoalkylbenzenes,
J. Res. NBS, 1946, 36, 455-461. [all data]
Moureu and Andre, 1914
Moureu, C.; Andre, E.,
Thermochimie des composes acetyleniques,
Ann. Chim. Phys., 1914, 1, 113-145. [all data]
Miller A., 1978
Miller A.,
Chemical thermodynamic properties of ethylbenzene,
J. Chem. Phys., 1978, 68, 1317-1319. [all data]
Guttman L., 1943
Guttman L., Jr.,
The thermodynamics of styrene (phenylethylene), including equilibrium of formation from ethylbenzene,
J. Am. Chem. Soc., 1943, 65, 1246-1247. [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]
Taylor W.J., 1946
Taylor W.J.,
Heats, equilibrium constants, and free energies of formation of the alkylbenzenes,
J. Res. Nat. Bur. Stand., 1946, 37, 95-122. [all data]
Hossenlopp I.A., 1981
Hossenlopp I.A.,
Vapor heat capacities and enthalpies of vaporization of four aromatic and/or cycloalkane hydrocarbons,
J. Chem. Thermodyn., 1981, 13, 423-428. [all data]
Colgate S.O., 1990
Colgate S.O.,
Acoustical determination of ideal gas heat capacities of three C-8 compounds,
Fluid Phase Equilib., 1990, 60, 191-203. [all data]
Scott R.B., 1945
Scott R.B.,
Specific heats of gaseous 1,3-butadiene, isobutene, styrene, and ethylbenzene,
J. Res. Nat. Bur. Stand., 1945, 34, 243-254. [all data]
Guthrie, Spitzer, et al., 1944
Guthrie, G.B., Jr.; Spitzer, R.W.; Huffman, H.M.,
Thermal data. XVIII. The heat capacity, heat of fusion, entropy and free energy of ethylbenzene,
J. Am. Chem. Soc., 1944, 66, 2120-2121. [all data]
Huffman, Parks, et al., 1930
Huffman, H.M.; Parks, G.S.; Daniels, A.C.,
Thermal data on organic compounds. VII. The heat capacities, entropies and free energies of twelve aromatic hydrocarbons,
J. Am. Chem. Soc., 1930, 52, 1547-1558. [all data]
Andolenko and Grigor'ev, 1979
Andolenko, R.A.; Grigor'ev, B.A.,
Investigation of isobaric heat capacity of aromatic hydrocarbons at atmospheric pressure, Iaz. Vyssh. Ucheb. Zaved.,
Neft i Gaz (11), 1979, 78, 90. [all data]
Fortier and Benson, 1979
Fortier, J.-L.; Benson, G.C.,
Heat capacities of some binary aromatic hydrocarbon mixtures containing benzene or toluene,
J. Chem. Eng. Data, 1979, 24(1), 34-37. [all data]
Fortier and Benson, 1977
Fortier, J.-L.; Benson, G.C.,
Excess heat capacities of binary mixtures of tetrachloromethane witlh some aromatic liquids at 298.15 K,
J. Chem. Thermodynam., 1977, 9, 1181-1188. [all data]
Fortier, Benson, et al., 1976
Fortier, J.-L.; Benson, G.C.; Picker, P.,
Heat capacities of some organic liquids determined with the Picker flow calorimeter,
J. Chem. Thermodynam., 1976, 8, 289-299. [all data]
Tschamler, 1948
Tschamler, H.,
Uber binare flussige Mischungen I. Mischungswarment, Volumseffekte und Zustandsdiagramme von chlorex mit benzol und n-alkylbenzolen,
Monatsh. Chem., 1948, 79, 162-177. [all data]
Kurbatov, 1947
Kurbatov, V.Ya.,
Specific heat of liquids. I. Specific heat of benzenoid hydrocarbons,
Zhur. Obshch. Khim., 1947, 17, 1999-2003. [all data]
Scott and Brickwedde, 1945
Scott, R.B.; Brickwedde, F.G.,
Thermodynamic properties of solid and liquid ethylbenzene from 0 to 300K,
J. Res., 1945, NBS 35, 501-512. [all data]
de Kolossowsky and Udowenko, 1934
de Kolossowsky, N.; Udowenko, W.W.,
Determination des chaleurs specifiques des liquides,
Compt. rend., 1934, 198, 1394-1395. [all data]
Kolosovskii and Udovenko, 1934
Kolosovskii, N.A.; Udovenko, W.W.,
Specific heat of liquids. II.,
Zhur. Obshchei Khim., 1934, 4, 1027-1033. [all data]
Blacet, Leighton, et al., 1931
Blacet, F.E.; Leighton, P.A.; Bartlett, E.P.,
The specific heats of five pure organic liquids and of ethyl alcohol-water mixtures,
J. Phys. Chem., 1931, 35, 1935-1943. [all data]
Smith and Andrews, 1931
Smith, R.H.; Andrews, D.H.,
Thermal energy studies. I. Phenyl derivatives of methane,
ethane and some related compounds. J. Am. Chem. Soc., 1931, 53, 3644-3660. [all data]
Willams and Daniels, 1924
Willams, J.W.; Daniels, F.,
The specific heats of certain organic liquids at elevated temperatures,
J. Am. Chem. Soc., 1924, 46, 903-917. [all data]
von Reis, 1881
von Reis, M.A.,
Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht,
Ann. Physik [3], 1881, 13, 447-464. [all data]
Scott and Brickwedde, 1945, 2
Scott, R.B.; Brickwedde, F.G.,
Thermodynamic Properties of Solid and Liquid Ethylbenzene From 0 to 300 K,
J. Res. Natl. Bur. Stand. (U. S.), 1945, 35, 501-12. [all data]
Huffman, Parks, et al., 1930, 2
Huffman, H.M.; Parks, G.S.; Daniels, A.C.,
Thermal Data on Organic Compounds: VII The Heat Capacities, Entropies and Free Energies of Twelve Aromatic Hydrocarbons,
J. Am. Chem. Soc., 1930, 52, 1547-58. [all data]
Tsonopoulos and Ambrose, 1995
Tsonopoulos, C.; Ambrose, D.,
Vapor-Liquid Critical Properties of Elements and Compounds. 3. Aromatic Hydrocarbons,
J. Chem. Eng. Data, 1995, 40, 547-558. [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]
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]
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,
Thermochimica Acta, 1986, 108, 9-27, https://doi.org/10.1016/0040-6031(86)85073-0
. [all data]
Svoboda, Charvátová, et al., 1982
Svoboda, Václav; Charvátová, Vladimíra; Majer, Vladimír; Hynek, Vladimír,
Determination of heats of vaporization and some other thermodynamic properties for four substituted hydrocarbons,
Collect. Czech. Chem. Commun., 1982, 47, 2, 543-549, https://doi.org/10.1135/cccc19820543
. [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]
Forziati, Norris, et al., 1949
Forziati, Alphonse F.; Norris, William R.; Rossini, Frederick D.,
Vapor pressures and boiling points of sixty API-NBS hydrocarbons,
J. RES. NATL. BUR. STAN., 1949, 43, 6, 555-17, https://doi.org/10.6028/jres.043.050
. [all data]
Ambrose, Broderick, et al., 1967
Ambrose, D.; Broderick, B.E.; Townsend, R.,
The Vapour Pressures Above the Normal Boiling Point and the Critical Pressures of Some Aromatic Hydrocarbons,
J. Chem. Soc. A:, 1967, 633-641, https://doi.org/10.1039/j19670000633
. [all data]
Williamham, Taylor, et al., 1945
Williamham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D.,
Vapor Pressures and Boiling Points of Some Paraffin, Alkylcyclopentane, Alkylcyclohexane, and Alkylbenzene Hydrocarbons,
J. Res. Natl. Bur. Stand. (U.S.), 1945, 35, 3, 219-244, https://doi.org/10.6028/jres.035.009
. [all data]
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]
Graul and Squires, 1990
Graul, S.T.; Squires, R.R.,
Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions,
J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007
. [all data]
Maas and van Keelen, 1989
Maas, W.P.M.; van Keelen, P.A.,
On the Generation and Characterization of the Spiro[2,5]Octadienyl Anion in the Gas Phase,
Org. Mass Spectrom., 1989, 24, 8, 546, https://doi.org/10.1002/oms.1210240807
. [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]
Davis, Allinger, et al., 1985
Davis, H.E.; Allinger, N.L.; Rogers, D.W.,
Enthalpies of hydrogenation of phenylalkynes: indirect determination of the enthalpy of formation of diphenylcyclopropenone,
J. Org. Chem., 1985, 50, 3601-3604. [all data]
Rogers and McLafferty, 1971
Rogers, D.W.; McLafferty, F.J.,
A new hydrogen calorimeter. Heats of hydrogenation of allyl and vinyl unsaturation adjacent to a ring,
Tetrahedron, 1971, 27, 3765-3775. [all data]
Flitcroft and Skinner, 1958
Flitcroft, T.L.; Skinner, H.A.,
Heats of hydrogenation Part 2.-Acetylene derivatives,
Trans. Faraday Soc., 1958, 54, 47-53. [all data]
Reents and Freiser, 1981
Reents, W.D.; Freiser, B.S.,
Gas-Phase Binding Energies and Spectroscopic Properties of NO+ Charge-Transfer Complexes,
J. Am. Chem. Soc., 1981, 103, 2791. [all data]
Farid and McMahon, 1978
Farid, R.; McMahon, T.B.,
Gas-Phase Ion-Molecule Reactions of Alkyl Nitrites by Ion Cyclotron Resonance Spectroscopy,
Int. J. Mass Spectrom. Ion Phys., 1978, 27, 2, 163, https://doi.org/10.1016/0020-7381(78)80037-0
. [all data]
Dolliver, Gresham, et al., 1937
Dolliver, M.a.; Gresham, T.L.; Kistiakowsky, G.B.; Vaughan, W.E.,
Heats of organic reactions. V. Heats of hydrogenation of various hydrocarbons,
J. Am. Chem. Soc., 1937, 59, 831-841. [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]
French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P.,
Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-,
Can. J. Chem., 1982, 60, 1907. [all data]
Merdzhanov, Alenin, et al., 1982
Merdzhanov, V.R.; Alenin, V.I.; Nesterova, T.N.; Rozhnov, A.M.,
Study of equilibrium transformation of ethylbromobenzenes,
Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1982, 25, 1047-1049. [all data]
Abboud, Jimenez, et al., 1995
Abboud, J.-L.M.; Jimenez, P.; Roux, M.V.; Turrion, C.; Lopez-Mardomingo, C.; Podosenin, A.; Rogers, D.W.; Liebman, J.F.,
Interrelations of the energetics of amides and alkenes: enthalpies of formation of N,N-dimethyl dertivatives of pivalamide, 1-adamantylcarboxamide and benzamide, and of styrene and its a-, trans-β- and β,β-methylated derivates,
J. Phys. Org. Chem., 1995, 8, 15-25. [all data]
Ghosh, Ram Das Guha, et al., 1945
Ghosh, J.C.; Ram Das Guha, S.; Roy, A.N.,
Chemical equilibrium in styrene formation from ethyl-benzene at low pressures,
Curr. Sci., 1945, 14, 269. [all data]
Mackay, Shiu, et al., 1979
Mackay, D.; Shiu, W.-Y.; Sutherland, R.P.,
Determination of Air-Water Henry's Law Constants for Hydrophobic Pollutants,
Environ. Sci. Technol., 1979, 13, 333-337. [all data]
Bohon and Claussen, 1951
Bohon, R.L.; Claussen, W.F.,
The solubility of aromatic hydrocarbons in water,
J. Am. Chem. Soc., 1951, 73, 1571-1578. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Aue, Guidoni, et al., 2000
Aue, D.H.; Guidoni, M.; Betowski, L.D.,
Ab initio calculated gas-phase basicities of polynuclear aromatic hydrocarbons,
Int. J. Mass Spectrom., 2000, 201, 283. [all data]
Howell, Goncalves, et al., 1984
Howell, J.O.; Goncalves, J.M.; Amatore, C.; Klasinc, L.; Wightman, R.M.; Kochi, J.K.,
Electron transfer from aromatic hydrocarbons and their π-complexes with metals. Comparison of the standard oxidation potentials and vertical ionization potentials,
J. Am. Chem. Soc., 1984, 106, 3968. [all data]
Klasinc, Kovac, et al., 1983
Klasinc, L.; Kovac, B.; Gusten, H.,
Photoelectron spectra of acenes. Electronic structure and substituent effects,
Pure Appl. Chem., 1983, 55, 289. [all data]
Selim and Helal, 1982
Selim, E.T.M.; Helal, A.I.,
The study of C1-C3 monosubstituted alkyl benzenes by the inverse convolution of first differential ionization efficiency curves,
Org. Mass Spectrom., 1982, 17, 539. [all data]
McLoughlin, Morrison, et al., 1979
McLoughlin, R.G.; Morrison, J.D.; Traeger, J.C.,
Photoionization of the C-1 - C-4 monosubstituted alkyl benzenes: Thermochemistry of [C7H7]+ and [C8H9]+ formation,
Org. Mass Spectrom., 1979, 14, 104. [all data]
Lias and Ausloos, 1978
Lias, S.G.; Ausloos, P.J.,
eIonization energies of organic compounds by equilibrium measurements,
J. Am. Chem. Soc., 1978, 100, 6027. [all data]
Akopyan and Vilesov, 1966
Akopyan, M.E.; Vilesov, F.I.,
A mass-spectrometric study of the photo-ionisation of benzene derivatives at wavelengths up to 885 A,
Zh. Fiz. Khim., 1966, 40, 125, In original 63. [all data]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]
Hammond, Price, et al., 1950
Hammond, V.J.; Price, W.C.; Teegan, J.P.; Walsh, A.D.,
The absorption spectra of some substituted benzenes and naphthalenes in the vacuum ultra-violet,
Faraday Discuss. Chem. Soc., 1950, 9, 53. [all data]
Deshmukh, Dutta, et al., 1982
Deshmukh, P.; Dutta, T.K.; Hwang, J.L.-S.; Housecroft, C.E.; Fehlner, T.P.,
Photoelectron spectroscopic measurements of the relative charge on carbyne fragments bound to polynuclear cobalt carbonyl clusters,
J. Am. Chem. Soc., 1982, 104, 1740. [all data]
Tajima and Tsuchiya, 1973
Tajima, S.; Tsuchiya, T.,
Energetics consideration of C5H5+ ions produced from various precursors by electron impact,
Bull. Chem. Soc. Jpn., 1973, 46, 3291. [all data]
Lifshitz and Malinovich, 1984
Lifshitz, C.; Malinovich, Y.,
Time resolved photoionization mass spectrometry in the millisecond range,
Int. J. Mass Spectrom. Ion Processes, 1984, 60, 99. [all data]
Meyer, Haynes, et al., 1965
Meyer, F.; Haynes, P.; McLean, S.; Harrison, A.G.,
An electron impact study of some C8H10 isomers,
Can. J. Chem., 1965, 43, 211. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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 T Temperature 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 ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ΔvapS Entropy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.