Trichloromethane
- Formula: CHCl3
- Molecular weight: 119.378
- IUPAC Standard InChIKey: HEDRZPFGACZZDS-UHFFFAOYSA-N
- CAS Registry Number: 67-66-3
- 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: Chloroform; Freon 20; Methane, trichloro-; R 20; Trichloroform; CHCl3; Formyl trichloride; Methane trichloride; Methenyl trichloride; Methyl trichloride; Chloroforme; Cloroformio; NCI-C02686; R 20 (refrigerant); Trichloormethaan; Trichlormethan; Triclorometano; Rcra waste number U044; UN 1888; NSC 77361; F 20
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Gas phase thermochemistry data
- Condensed phase thermochemistry data
- Phase change data
- Reaction thermochemistry data
- Henry's Law data
- Gas phase ion energetics data
- Ion clustering data
- IR Spectrum
- Mass spectrum (electron ionization)
- Vibrational and/or electronic energy levels
- Gas Chromatography
- References
- Notes
- Options:
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, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, NIST Subscription Links, 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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -103.18 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1968 |
ΔfH°gas | -102.9 ± 2.5 | kJ/mol | Review | Manion, 2002 | derived from recommended ΔfHliquid° and ΔvapH°; DRB |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 295.61 | J/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1968 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | 298. to 1200. | 1200. to 6000. |
---|---|---|
A | 44.24706 | 101.4762 |
B | 114.6734 | 3.429756 |
C | -88.81837 | -0.657348 |
D | 25.89992 | 0.043707 |
E | -0.522808 | -9.348019 |
F | -122.4891 | -155.8000 |
G | 315.7451 | 387.1556 |
H | -103.1770 | -103.1770 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in December, 1968 | Data last reviewed in December, 1968 |
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, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, NIST Subscription Links, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -134.1 ± 2.5 | kJ/mol | Review | Manion, 2002 | adopted combustion calorimetry data of Hu and Sinke, 1969 with increased uncertainty to reflect other data; DRB |
ΔfH°liquid | -134.3 | kJ/mol | Ccr | Hu and Sinke, 1969, 2 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -473.21 | kJ/mol | Ccr | Hu and Sinke, 1969, 2 | ALS |
ΔcH°liquid | -474.0 ± 8.4 | kJ/mol | Ccb | Smith, Bjellerup, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -473. ± 8. kJ/mol; ALS |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
114.25 | 298.15 | Grolier, Roux-Desgranges, et al., 1993 | DH |
113.2 | 298.15 | Shehatta, 1993 | DH |
114.32 | 298.15 | Barta, Kooner, et al., 1989 | DH |
114.35 | 298.15 | Barta, Kooner, et al., 1989, 2 | DH |
115.5 | 298.15 | Petrov, Peshekhodov, et al., 1989 | T = 258.15, 278.15, 298.15, 318.15 K.; DH |
113.85 | 298.15 | Grolier, Roux-Desgranges, et al., 1987 | DH |
115.5 | 298.15 | Al'per, Peshekhodov, et al., 1986 | DH |
113.73 | 298.15 | Hepler, Kooner, et al., 1985 | DH |
114.26 | 298.15 | Inglese, Castagnolo, et al., 1981 | DH |
116.2 | 293. | Rastorguev and Ganiev, 1967 | T = 293 to 333 K.; DH |
113.4 | 300. | Harrison and Moelwyn-Hughes, 1957 | T = 243 to 303 K.; DH |
114.0 | 303.2 | Harrison and Moelwyn-Hughes, 1957 | T = 245 to 303 K. Unsmoothed experimental datum.; DH |
114.18 | 298. | Staveley, Tupman, et al., 1955 | T = 284 to 329 K.; DH |
117.1 | 298. | Kurbatov, 1948 | T = -52 to 51°C. Mean Cp, four temperatures.; DH |
139.7 | 303.6 | Phillip, 1939 | DH |
113.0 | 298.1 | Richards and Wallace, 1932 | T = 293 to 323 K.; DH |
115.5 | 293.2 | Williams and Daniels, 1925 | T = 20 to 50°C.; DH |
116.7 | 303. | Willams and Daniels, 1924 | T = 295 to 315 K. Equation only.; 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, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, NIST Subscription Links, 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
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 334.3 ± 0.2 | K | AVG | N/A | Average of 36 out of 37 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 210. ± 2. | K | AVG | N/A | Average of 14 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 209.61 | K | N/A | Stull, 1937 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 537. ± 2. | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 53.2868 | bar | N/A | Campbell and Chatterjee, 1969 | Uncertainty assigned by TRC = 0.1013 bar; TRC |
Pc | 53.2868 | bar | N/A | Campbell and Chatterjee, 1968 | Uncertainty assigned by TRC = 0.0607 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 4.11 | mol/l | N/A | Campbell and Chatterjee, 1969 | Uncertainty assigned by TRC = 0.03 mol/l; TRC |
ρc | 3.84 | mol/l | N/A | Campbell and Chatterjee, 1968 | Uncertainty assigned by TRC = 0.02 mol/l; TRC |
ρc | 4.15 | mol/l | N/A | Herz and Neukirch, 1923 | Uncertainty assigned by TRC = 0.02 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 31.4 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 31.32 ± 0.08 | kJ/mol | Review | Manion, 2002 | weighted average of several measurements plus a correction for non-ideality; DRB |
ΔvapH° | 31.1 | kJ/mol | C | Majer, Sváb, et al., 1980 | AC |
ΔvapH° | 30.5 ± 0.42 | kJ/mol | V | Mathews, 1926 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 29.4 ± 0.2 kJ/mol; ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
29.24 | 334.3 | N/A | Majer and Svoboda, 1985 | |
30.8 | 321. | N/A | Chen, Wang, et al., 1995 | Based on data from 306. to 427. K.; AC |
31.8 | 254. | A | Stephenson and Malanowski, 1987 | Based on data from 227. to 269. K.; AC |
30.4 | 348. | A | Stephenson and Malanowski, 1987 | Based on data from 333. to 416. K.; AC |
28.9 | 425. | A | Stephenson and Malanowski, 1987 | Based on data from 410. to 481. K.; AC |
30.1 | 494. | A | Stephenson and Malanowski, 1987 | Based on data from 479. to 523. K.; AC |
32.5 | 275. | EB | Boublík and Aim, 1972 | Based on data from 260. to 333. K.; AC |
35.0 | 230. | N/A | Stull, 1947 | Based on data from 215. to 334. K.; AC |
30.9 | 320. | N/A | Scatchard and Raymond, 1938 | Based on data from 308. to 333. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
215. to 334.4 | 4.20772 | 1233.129 | -40.953 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
334.4 to 527. | 4.56992 | 1486.455 | -8.612 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.8 | 209.6 | Acree, 1991 | AC |
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, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, NIST Subscription Links, 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
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
MS - José A. Martinho Simões
ALS - 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: Cl- + CHCl3 = (Cl- • CHCl3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 63.6 ± 8.4 | kJ/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; B,M |
ΔrH° | 81.6 ± 8.4 | kJ/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
ΔrH° | 75.73 | kJ/mol | Mobl | Giles and Grimsrud, 1993 | gas phase; B |
ΔrH° | 75.7 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
ΔrH° | 79.9 ± 2.9 | kJ/mol | TDEq | Dougherty, Dalton, et al., 1974 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 97.1 | J/mol*K | N/A | Larson and McMahon, 1984 | gas phase; From thermochemical cycle(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M |
ΔrS° | 103. | J/mol*K | HPMS | Dougherty, Dalton, et al., 1974 | gas phase; M |
ΔrS° | 61.9 | J/mol*K | PHPMS | Yamdagni and Kebarle, 1971 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 47. ± 5. | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
CCl3- + =
By formula: CCl3- + H+ = CHCl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1507.6 | kJ/mol | Acid | Paulino and Squires, 1991 | gas phase; B |
ΔrH° | 1496. ± 8.8 | kJ/mol | G+TS | Paulino and Squires, 1991 | gas phase; B |
ΔrH° | 1494. ± 26. | kJ/mol | G+TS | Bohme, Lee-Ruff, et al., 1972 | gas phase; > acetone, <= C5H6; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1464. ± 8.4 | kJ/mol | IMRB | Paulino and Squires, 1991 | gas phase; B |
ΔrG° | 1464. ± 13. | kJ/mol | IMRB | Born, Ingemann, et al., 2000 | gas phase; B |
ΔrG° | 1461. ± 25. | kJ/mol | IMRB | Bohme, Lee-Ruff, et al., 1972 | gas phase; > acetone, <= C5H6; value altered from reference due to change in acidity scale; B |
By formula: CN- + CHCl3 = (CN- • CHCl3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 76. ± 15. | kJ/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 104. | J/mol*K | N/A | Larson and McMahon, 1987 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 45.2 ± 9.6 | kJ/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
C8H6MoO3 (solution) + (solution) =
(solution) +
(solution)
By formula: C8H6MoO3 (solution) + CCl4 (solution) = C8H5ClMoO3 (solution) + CHCl3 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -133.1 ± 3.8 | kJ/mol | RSC | Nolan, López de la Vega, et al., 1986 | solvent: Tetrahydrofuran; The enthalpy of solution of Mo(Cp)(CO)3(H)(cr) was measured as 8.8 ± 0.4 kJ/mol Nolan, López de la Vega, et al., 1986, 2. Reaction temperature: 323 K; MS |
By formula: Br- + CHCl3 = (Br- • CHCl3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.11 | kJ/mol | Mobl | Giles and Grimsrud, 1993 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 39.7 | kJ/mol | Mobl | Giles and Grimsrud, 1993 | gas phase; B |
By formula: CHCl4- + 2CHCl3 = C2H2Cl7-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 61.50 | kJ/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 30.3 | kJ/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: C2H2Cl7- + 3CHCl3 = C3H3Cl10-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 49.37 | kJ/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 21.9 | kJ/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: C4H9+ + CHCl3 = (C4H9+ • CHCl3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38. | kJ/mol | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 98.7 | J/mol*K | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
By formula: HNaO + C2HCl3O = CHNaO2 + CHCl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -102.8 | kJ/mol | Cm | Pritchard and Skinner, 1950 | liquid phase; Heat of hydrolysis; ALS |
By formula: CHCl3 + Cl2 = CCl4 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -93.30 | kJ/mol | Cm | Kirkbride, 1956 | liquid phase; Heat of chlorination; ALS |
By formula: I- + CHCl3 = (I- • CHCl3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 59.0 ± 4.2 | kJ/mol | TDAs | Caldwell, Masucci, et al., 1989 | gas phase; B,M |
By formula: CHCl3 + Br2 = HBr + CBrCl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -5.9 ± 0.4 | kJ/mol | Eqk | Mendenhall, Golden, et al., 1973 | gas phase; ALS |
By formula: 2CHCl2F = CHCl3 + CHClF2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -14.2 ± 2.0 | kJ/mol | Eqk | Hess and Kemnitz, 1992 | gas phase; Gas Phase; ALS |
C10H12Mo (cr) + 2 (l) = C10H10Cl2Mo (cr) + 2
(l)
By formula: C10H12Mo (cr) + 2CCl4 (l) = C10H10Cl2Mo (cr) + 2CHCl3 (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -321.3 ± 4.4 | kJ/mol | RSC | Calado, Dias, et al., 1979 | MS |
C10H12W (cr) + 2 (l) = C10H10Cl2W (cr) + 2
(l)
By formula: C10H12W (cr) + 2CCl4 (l) = C10H10Cl2W (cr) + 2CHCl3 (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -301.1 ± 3.4 | kJ/mol | RSC | Calado, Dias, et al., 1979 | MS |
By formula: HBr + CBrCl3 = CHCl3 + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.9 | kJ/mol | Kin | Sullivan and Davidson, 1951 | 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, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, NIST Subscription Links, 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 |
---|---|---|---|---|
0.25 | 4500. | L | N/A | |
0.27 | 4100. | M | N/A | |
0.23 | 3800. | M | N/A | |
0.25 | M | N/A | ||
0.26 | 3900. | M | N/A | |
0.26 | 4000. | X | N/A | |
0.24 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.49 | 7300. | M | N/A | |
0.24 | 2200. | X | N/A | |
0.23 | 5000. | X | N/A | |
0.25 | 4100. | X | Barr and Newsham, 1987 | |
0.28 | 4600. | M | Gossett, 1987 | |
0.26 | 4300. | X | N/A | |
0.23 | 4200. | X | N/A | |
0.25 | 4300. | X | N/A | |
0.24 | 4200. | M | N/A | |
0.33 | M | Nicholson, Maguire, et al., 1984 | ||
0.28 | c | Nicholson, Maguire, et al., 1984 | ||
0.32 | C | Nicholson, Maguire, et al., 1984 | ||
0.21 | C | Nicholson, Maguire, et al., 1984 | ||
0.20 | 3900. | M | N/A | Solubility in sea water. |
0.30 | 4400. | X | N/A | |
0.25 | 4100. | X | Leighton and Calo, 1981 | |
0.27 | L | N/A | ||
0.15 | 5600. | X | N/A | |
0.25 | 4600. | X | N/A | |
0.25 | V | N/A | ||
0.90 | V | N/A | Value at T = 275. K. | |
0.31 | C | N/A | ||
0.23 | V | N/A | ||
0.35 | M | Pearson and McConnell, 1975 | The same data was also published in missing citation. Value at T = 293. K. | |
0.29 | 4800. | M | N/A |
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, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, NIST Subscription Links, 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:
B - John E. Bartmess
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
LL - Sharon G. Lias and Joel F. Liebman
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 11.37 ± 0.02 | eV | N/A | N/A | L |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.62 ± 0.16 | IMRB | Staneke, Groothuis, et al., 1995 | EA > EA(CH2S-.), and Cl-A(CHCl2.) < Cl-A(CHCl3). May be ion-molecule complex.; B |
1.756 ± 0.052 | SI | Gaines, Kay, et al., 1966 | The Magnetron method, lacking mass analysis, is not considered reliable.; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.41 ± 0.02 | PI | Wang and Leroi, 1983 | LBLHLM |
11.3 | PE | Von Niessen, Asbrink, et al., 1982 | LBLHLM |
11.48 | PE | Kimura, Katsumata, et al., 1981 | LLK |
11.37 ± 0.02 | PI | Werner, Tsai, et al., 1974 | LLK |
11.40 | PE | Dewar and Worley, 1969 | RDSH |
11.50 | CI | Cermak, 1968 | RDSH |
11.42 ± 0.03 | PI | Watanabe, 1957 | RDSH |
11.5 | PE | Von Niessen, Asbrink, et al., 1982 | Vertical value; LBLHLM |
11.48 | PE | Dixon, Murrell, et al., 1971 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C+ | 24.62 | ? | EI | Reed and Snedden, 1956 | RDSH |
CCl+ | 16.3 ± 0.2 | ? | EI | Hobrock and Kiser, 1964 | RDSH |
CCl2+ | 12.2 | ? | EI | Shapiro and Lossing, 1968 | RDSH |
CCl3+ | 11.70 ± 0.09 | H | EI | Martin, Lampe, et al., 1966 | RDSH |
CH+ | 16.8 ± 1.0 | Cl2+Cl | EI | Ogawa, Miyoshi, et al., 1982 | LBLHLM |
CH+ | 23.9 ± 0.3 | ? | EI | Hobrock and Kiser, 1964 | RDSH |
CHCl+ | 17.5 ± 0.2 | ? | EI | Hobrock and Kiser, 1964 | RDSH |
CHCl2+ | 11.52 | Cl | EI | Holmes, Lossing, et al., 1988 | LL |
CHCl2+ | 11.49 ± 0.02 | Cl | PI | Werner, Tsai, et al., 1974 | LLK |
CHCl2+ | 11.52 | Cl | EI | Lossing, 1972 | LLK |
CHCl2+ | 11.64 ± 0.20 | Cl | EI | Hobrock and Kiser, 1964 | RDSH |
CHCl2+ | 11.7 ± 0.1 | Cl | EI | Harrison and Shannon, 1962 | RDSH |
CHCl2+ | 12.43 ± 0.02 | Cl | EI | Reed and Snedden, 1956 | RDSH |
Cl+ | 22.0 ± 0.3 | ? | EI | Hobrock and Kiser, 1964 | RDSH |
H+ | 20.5 ± 1.7 | 4H+CCl3 | EI | Ogawa, Miyoshi, et al., 1982 | LBLHLM |
De-protonation reactions
CCl3- + =
By formula: CCl3- + H+ = CHCl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1507.6 | kJ/mol | Acid | Paulino and Squires, 1991 | gas phase; B |
ΔrH° | 1496. ± 8.8 | kJ/mol | G+TS | Paulino and Squires, 1991 | gas phase; B |
ΔrH° | 1494. ± 26. | kJ/mol | G+TS | Bohme, Lee-Ruff, et al., 1972 | gas phase; > acetone, <= C5H6; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1464. ± 8.4 | kJ/mol | IMRB | Paulino and Squires, 1991 | gas phase; B |
ΔrG° | 1464. ± 13. | kJ/mol | IMRB | Born, Ingemann, et al., 2000 | gas phase; B |
ΔrG° | 1461. ± 25. | kJ/mol | IMRB | Bohme, Lee-Ruff, et al., 1972 | gas phase; > acetone, <= C5H6; value altered from reference due to change in acidity scale; B |
Ion clustering data
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), Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, NIST Subscription Links, 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
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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: Br- + CHCl3 = (Br- • CHCl3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.11 | kJ/mol | Mobl | Giles and Grimsrud, 1993 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 39.7 | kJ/mol | Mobl | Giles and Grimsrud, 1993 | gas phase; B |
By formula: CHCl4- + 2CHCl3 = C2H2Cl7-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 61.50 | kJ/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 30.3 | kJ/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: CN- + CHCl3 = (CN- • CHCl3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 76. ± 15. | kJ/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 104. | J/mol*K | N/A | Larson and McMahon, 1987 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 45.2 ± 9.6 | kJ/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
By formula: C2H2Cl7- + 3CHCl3 = C3H3Cl10-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 49.37 | kJ/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 21.9 | kJ/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: C4H9+ + CHCl3 = (C4H9+ • CHCl3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38. | kJ/mol | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 98.7 | J/mol*K | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
By formula: Cl- + CHCl3 = (Cl- • CHCl3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 63.6 ± 8.4 | kJ/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; B,M |
ΔrH° | 81.6 ± 8.4 | kJ/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
ΔrH° | 75.73 | kJ/mol | Mobl | Giles and Grimsrud, 1993 | gas phase; B |
ΔrH° | 75.7 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
ΔrH° | 79.9 ± 2.9 | kJ/mol | TDEq | Dougherty, Dalton, et al., 1974 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 97.1 | J/mol*K | N/A | Larson and McMahon, 1984 | gas phase; From thermochemical cycle(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M |
ΔrS° | 103. | J/mol*K | HPMS | Dougherty, Dalton, et al., 1974 | gas phase; M |
ΔrS° | 61.9 | J/mol*K | PHPMS | Yamdagni and Kebarle, 1971 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 47. ± 5. | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
By formula: I- + CHCl3 = (I- • CHCl3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 59.0 ± 4.2 | kJ/mol | TDAs | Caldwell, Masucci, et al., 1989 | gas phase; B,M |
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, Ion clustering data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, NIST Subscription Links, References, Notes
Data compiled by: Coblentz Society, Inc.
- GAS (50 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm-1 resolution
- LIQUID (NEAT); DOW KBr FOREPRISM-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, Ion clustering data, IR Spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, NIST Subscription Links, 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, 1998. |
NIST MS number | 291570 |
Vibrational and/or electronic energy levels
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, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, NIST Subscription Links, 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: Takehiko Shimanouchi
Symmetry: C3ν Symmetry Number σ = 3
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | CH str | 3034 | B | 3034.1 M | gas | 3030 W | gas | ||
a1 | 2 | CCl3 s-str | 680 | B | 680 S | gas | 672 S | gas | ||
a1 | 3 | CCl3 s-deform | 363 | C | 366 | liq. | 363 M | gas | ||
e | 4 | CH bend | 1220 | B | 1219.7 VS | gas | 1217 W | gas | ||
e | 5 | CCl3 d-str | 774 | B | 774.0 VS | gas | 760 W | gas | ||
e | 6 | CCl3 d-deform | 261 | B | 260 | liq. | 261 W | gas | ||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
B | 1~3 cm-1 uncertainty |
C | 3~6 cm-1 uncertainty |
Gas Chromatography
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, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, NIST Free Links, NIST Subscription Links, 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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | HP-1 | 0. | 617.2 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 10. | 619. | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 20. | 628.4 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 30. | 625.8 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 40. | 621.1 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 50. | 618.2 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 60. | 614.8 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Packed | C78, Branched paraffin | 130. | 607.9 | Dallos, Sisak, et al., 2000 | He; Column length: 3.3 m |
Capillary | OV-1 | 70. | 604. | Annino and Villalobos, 1999 | 22.6 m/0.53 mm/2.78 μm |
Capillary | DB-1 | 60. | 606. | Dewulf, Van Langenhove, et al., 1997 | 30. m/0.53 mm/5.0 μm, He |
Capillary | OV-1 | 50. | 604. | Villalobos, 1995 | 30. m/0.32 mm/0.96 μm |
Packed | C78, Branched paraffin | 130. | 606.8 | Reddy, Dutoit, et al., 1992 | Chromosorb G HP; Column length: 3.3 m |
Packed | Apolane | 130. | 610. | Dutoit, 1991 | Column length: 3.7 m |
Packed | OV-1 | 100. | 604. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | OV-1 | 125. | 608. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | OV-1 | 75. | 602. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | Squalane | 80. | 582. | Pacáková, Vojtechová, et al., 1988 | N2, Chezasorb AW-HMDS; Column length: 1.2 m |
Packed | SE-30 | 100. | 609. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
Packed | Porapack Q | 200. | 568. | Goebel, 1982 | N2 |
Packed | Apolane | 70. | 595.2 | Riedo, Fritz, et al., 1976 | He, Chromosorb; Column length: 2.4 m |
Packed | Apiezon L | 100. | 616. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
Packed | DC-200 | 100. | 610. | Rohrschneider, 1966 | Column length: 4. m |
Packed | Squalane | 100. | 587. | Rohrschneider, 1966 | Column length: 5. m |
Packed | Apiezon L | 100. | 622. | Rohrschneider, 1966 | Column length: 5. m |
Packed | Apiezon L | 130. | 622. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
Packed | Apiezon L | 70. | 613. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CBP-1 | 598. | Shimadzu, 2003 | 25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C |
Capillary | DB-1 | 601. | Takeoka, Flath, et al., 1990 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 210. C |
Capillary | SE-54 | 616. | Rembold, Wallner, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Carbowax 20M | 70. | 1037. | Annino and Villalobos, 1999 | 31.3 m/0.53 mm/0.54 μm |
Capillary | Carbowax 20M | 50. | 1037. | Villalobos, 1995 | 30. m/0.32 mm/0.54 μm, He |
Capillary | Supelcowax-10 | 60. | 1034. | Castello, Vezzani, et al., 1991 | N2; Column length: 60. m; Column diameter: 0.75 mm |
Packed | SP-1000 | 100. | 1030.11 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | SP-1000 | 125. | 1028.95 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | SP-1000 | 75. | 1027.69 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | Carbowax 20M | 75. | 1026. | Goebel, 1982 | N2, Kieselgur (60-100 mesh); Column length: 2. m |
Packed | Carbowax 20M | 100. | 1026. | Rohrschneider, 1966 | Column length: 2. m |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CBP-20 | 1024. | Shimadzu, 2003 | 25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 615. | Isidorov, Vinogorova, et al., 2003 | 25. C @ 5. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 150. C |
Capillary | DB-1 | 601. | Helmig, Pollock, et al., 1996 | 30. m/0.25 mm/1. μm, 6. K/min; Tstart: -50. C; Tend: 180. C |
Capillary | DB-5 | 621.7 | Helmig, Pollock, et al., 1996 | 60. m/0.33 mm/0.25 μm, 6. K/min; Tstart: -50. C; Tend: 180. C |
Capillary | Petrocol DH | 601. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | OV-101 | 590. | Misharina, Aerove, et al., 1991 | 50. m/0.32 mm/0.50 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | SE-54 | 618. | Weber, 1986 | 25. m/0.31 mm/0.17 μm, H2, 2. K/min; Tstart: 35. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1021. | Fernandez-Segovia, Escriche, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 10. K/min, 230. C @ 25. min |
Capillary | CP-Wax 52CB | 1020. | Alasalvar, Taylor, et al., 2005 | 60. m/0.25 mm/0.25 μm, 35. C @ 4. min, 3. K/min; Tend: 203. C |
Capillary | Supelcowax-10 | 1022. | Elmore, Nisyrios, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | Supelcowax-10 | 1026. | Chung, Yung, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | Supelcowax-10 | 1026. | Chung, Yung, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | DB-Wax | 1013. | Cha, Kim, et al., 1998 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 3. K/min, 200. C @ 60. min |
Capillary | FFAP | 1028. | Ott, Fay, et al., 1997 | 30. m/0.25 mm/0.25 μm, He, 20. C @ 1. min, 4. K/min, 200. C @ 1. min |
Capillary | DB-Wax | 1010. | Shimoda, Peralta, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | DB-Wax | 1020. | Shimoda, Wu, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | DB-Wax | 1021. | Iwaoka, Hagi, et al., 1994 | He, 40. C @ 5. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | DB-Wax | 1022. | Sumitani, Suekane, et al., 1994 | He, 40. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | Supelcowax-10 | 1022. | Chung and Cadwallader, 1993 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 195. C @ 40. min |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 1018. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | Supelcowax-10 | 1020. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | Supelcowax-10 | 1023. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | CP-Wax 52CB | 1022. | Verzera, Ziino, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C |
Capillary | Innowax | 999. | Larráyoz, Addis, et al., 2001 | 60. m/0.22 mm/0.25 μm, He; Program: 35C (1min) => 3C/min => 170C => 4C/min => 200C (20min) |
Capillary | DB-Wax | 1038. | Radovic, Careri, et al., 2001 | 30. m/0.25 mm/0.25 μm; Program: 30C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-1 | 60. | 600. | Shimadzu, 2003, 2 | 60. m/0.32 mm/1. μm, He |
Packed | Synachrom | 150. | 561. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Packed | Synachrom | 150. | 569. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Packed | DC-400 | 150. | 630. | Anderson, 1968 | Helium, Gas-Pak (60-80 mesh); Column length: 3.0 m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 605. | MHA, 9999 | Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; Tstart: 100. C; Tend: 300. C |
Capillary | HP-5 MS | 615. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min |
Capillary | Petrocol DH | 601. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | HP-5 MS | 615. | Kim and Chung, 2009 | 30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 2. K/min, 195. C @ 30. min |
Capillary | SPB-5 | 618. | Vasta, Ratel, et al., 2007 | 60. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min |
Capillary | HP-5 | 618. | Isidorov and Jdanova, 2002 | 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 200. C |
Capillary | BP-1 | 600. | Health Safety Executive, 2000 | 50. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
Capillary | SE-54 | 588. | Huang, Liang, et al., 1996 | 36. m/0.25 mm/0.25 μm, 5. K/min; Tstart: 35. C; Tend: 240. C |
Capillary | DB-1 | 601. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 616. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | HP-5 | 609. | Pugliese, Sirtori, et al., 2009 | 50. m/0.32 mm/1.05 μm, Helium; Program: not specified |
Capillary | HP-5 | 617. | Rotsatschakul, Visesanguan, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min) |
Capillary | Polydimethyl siloxanes | 609. | Zenkevich, Eliseenkov, et al., 2006 | Program: not specified |
Capillary | Methyl Silicone | 609. | Zenkevich, 2001 | Program: not specified |
Capillary | Methyl Silicone | 611. | Zenkevich, 2001 | Program: not specified |
Capillary | HP-5 | 629. | Timón, Ventanas, et al., 1998 | 50. m/0.32 mm/0.52 μm, He; Program: 35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min) |
Capillary | Methyl Silicone | 609. | Zenkevich, 1998 | Program: not specified |
Capillary | SPB-1 | 603. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | DB-5 | 620. | Mateo and Zumalacárregui, 1996 | 50. m/0.32 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min) |
Capillary | DB-5 | 618. | Sorimachi, Tanabe, et al., 1995 | He; Column length: 30. m; Program: not specified |
Capillary | Methyl Silicone | 609. | Zenkevich, Korolenko, et al., 1995 | Program: not specified |
Capillary | DB-1 | 601. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | DB-1 | 601. | Ciccioli, Brancaleoni, et al., 1993 | 60. m/0.32 mm/0.25 μm; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min |
Capillary | SPB-1 | 603. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
Capillary | SPB-1 | 605. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Capillary | CP Sil 8 CB | 620. | Weller and Wolf, 1989 | 40. m/0.25 mm/0.25 μm, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C |
Capillary | methyl silicone oil with 5% Igepal | 609. | Schultz, Flath, et al., 1988 | Column length: 150. m; Column diameter: 0.75 mm; Program: not specified |
Capillary | methyl silicone oil with 5% Igepal | 611. | Schultz, Flath, et al., 1988 | Column length: 150. m; Column diameter: 0.75 mm; Program: not specified |
Capillary | DB-1 | 601. | Takeoka, Flath, et al., 1988 | 30. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C |
Capillary | DB-1 | 606. | Takeoka, Flath, et al., 1988 | 30. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 603. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 609. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 616. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 595. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1 | 605. | Ramsey and Flanagan, 1982 | Program: not specified |
Capillary | SE-30 | 605. | Heydanek and McGorrin, 1981 | He; Column length: 50. m; Column diameter: 0.5 mm; Program: -10C (8min) => 12C/min => 26C => 3C/min => 170C (30min) |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-Wax | 60. | 1010. | Shimadzu, 2003, 2 | 50. m/0.32 mm/1. μm, He |
Capillary | DB-Wax | 60. | 1045. | Shimadzu, 2003, 2 | 50. m/0.32 mm/1. μm, He |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax | 1007. | Puvipirom and Chaisei, 2012 | 15. m/0.32 mm/0.50 μm, Helium, 3. K/min; Tstart: 40. C; Tend: 250. C |
Capillary | DB-Wax | 1037. | Shimadzu, 2012 | 30. m/0.32 mm/0.50 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | DB-Wax | 1037. | Shimadzu Corporation, 2003 | 30. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | DB-Wax | 1017. | Duque, Bonilla, et al., 2001 | 30. m/0.25 mm/0.25 μm, Helium, 4. K/min, 220. C @ 30. min; Tstart: 25. C |
Capillary | DB-Wax | 1025. | Kobayashi, Tsuda, et al., 1995 | He, 60. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 180. C |
Capillary | DB-Wax | 1015. | Takeoka and Butter, 1989 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 180. C |
Capillary | DB-Wax | 1016. | Takeoka and Butter, 1989 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 180. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 1037. | Soria, Martinez-Castro, et al., 2009 | 50. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min) |
Capillary | Supelcowax 10 | 1037. | Soria, Martinez-Castro, et al., 2008 | 50. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min) |
Capillary | Supelcowax-10 | 1018. | Berard, Bianchi, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) |
Capillary | Supelcowax-10 | 1020. | Berard, Bianchi, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) |
Capillary | BP-20 | 992. | Pontes, Marques, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C |
Capillary | DB-Wax | 1014. | le Pape, Grua-Priol, et al., 2004 | 30. m/0.32 mm/0.5 μm, He; Program: 40C => 1C/min => 57C => 15C/min => 230C (5min) |
Capillary | Polyethylene Glycol | 1014. | Zenkevich, Korolenko, et al., 1995 | Program: not specified |
Capillary | Superox 0.6; Carbowax 20M | 1000. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 1000. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 20M | 1024. | Ramsey and Flanagan, 1982 | Program: not specified |
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, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, NIST Subscription Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Manion, 2002
Manion, J.A.,
Evaluated Enthalpies of Formation of the Stable Closed Shell C1 and C2 Chlorinated Hydrocarbons,
J. Phys. Chem. Ref. Data, 2002, 31, 1, 123-172, https://doi.org/10.1063/1.1420703
. [all data]
Hu and Sinke, 1969
Hu, A.T.; Sinke, G.C.,
Combustion calorimetry of some chlorinated organic compounds,
J. Chem. Thermodyn., 1969, 1, 6, 507, https://doi.org/10.1016/0021-9614(69)90010-X
. [all data]
Hu and Sinke, 1969, 2
Hu, A.T.; Sinke, G.C.,
Combustion calorimetry of some chlorinated organic compounds,
J. Chem. Thermodyn., 1969, 1, 507-513. [all data]
Smith, Bjellerup, et al., 1953
Smith, L.; Bjellerup, L.; Krook, S.; Westermark, H.,
Heats of combustion of organic chloro compounds determined by the "quartz wool" method,
Acta Chem. Scand., 1953, 7, 65. [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]
Grolier, Roux-Desgranges, et al., 1993
Grolier, J.-P.E.; Roux-Desgranges, G.; Berkane, M.; Jimenez, E.; Wilhelm, E.,
Heat capacities and densities of mixtures of very polar substances 2. Mixtures containing N,N-dimethylformamide,
J. Chem. Thermodynam., 1993, 25(1), 41-50. [all data]
Shehatta, 1993
Shehatta, I.,
Heat capacity at constant pressure of some halogen compounds,
Thermochim. Acta, 1993, 213, 1-10. [all data]
Barta, Kooner, et al., 1989
Barta, L.; Kooner, Z.S.; Hepler, L.G.; Roux-Desgranges, G.; Grolier, J.-P.E.,
Thermodynamics of complex formation in chloroform and 1,4-dioxane,
Can. J. Chem., 1989, 67, 1225-1229. [all data]
Barta, Kooner, et al., 1989, 2
Barta, L.; Kooner, Z.S.; Hepler, L.G.; Roux-Desgranges, G.; Grolier, J.-P.E.,
Thermal and volumetric properties of chloroform dimethylsulfoxide: Thermodynamic analysis using the ideal associated solution model,
J. Solution Chem., 1989, 18(7), 663-673. [all data]
Petrov, Peshekhodov, et al., 1989
Petrov, A.N.; Peshekhodov, P.B.; Al'per, G.A.,
Heat capacity of non-aqueous solutions of non-electrolyts with N,N-dimethylformamide as a base, Sbornik Nauch. Trud., Termodin. Rast. neelect., Ivanovo,
Inst. nevod. rast., 1989, Akad. [all data]
Grolier, Roux-Desgranges, et al., 1987
Grolier, J.-P.E.; Roux-Desgranges, G.; Kooner, Z.S.; Smith, J.F.; Hepler, L.G.,
Thermal and volumetric properties of chloroform + benzene mixtures and the ideal associated solution model of complex formation,
J. Solution Chem., 1987, 16, 745-752. [all data]
Al'per, Peshekhodov, et al., 1986
Al'per, G.A.; Peshekhodov, P.B.; Nikiforov, M.Yu.; Petrov, A.N.; Krestov, G.A.,
Specific heats and features of the intermolecular interactions in the system chloroform-acetone,
Zhur. Obshchei Khim., 1986, 56(8), 1688-1691. [all data]
Hepler, Kooner, et al., 1985
Hepler, L.G.; Kooner, Z.S.; Roux-Desgranges, G.; Grolier, J.-P.E.,
Thermal and volumetric properties of chloroform + triethylamine mixtures and the ideal associated solution model of complex formation,
J. Solution Chem., 1985, 14(8), 579-594. [all data]
Inglese, Castagnolo, et al., 1981
Inglese, A.; Castagnolo, M.; Dell'Atti, A.; DeGiglio, A.,
Thermochim. Acta, 1981, 77-87. [all data]
Rastorguev and Ganiev, 1967
Rastorguev, Yu.L.; Ganiev, Yu.A.,
Study of the heat capacity of selected solvents,
Izv. Vyssh. Uchebn. Zaved. Neft Gaz. 10, 1967, No.1, 79-82. [all data]
Harrison and Moelwyn-Hughes, 1957
Harrison, D.; Moelwyn-Hughes, E.A.,
The heat capacities of certain liquids,
Proc. Roy. Soc. (London), 1957, A239, 230-246. [all data]
Staveley, Tupman, et al., 1955
Staveley, L.A.K.; Tupman, W.I.; Hart, K.R.,
Some thermodynamice properties of the systems benzene + ethylene dichloride, benzene + carbon tetrachloride, acetone + chloroform, and acetone + carbon disulphide,
Trans. Faraday Soc., 1955, 51, 323-342. [all data]
Kurbatov, 1948
Kurbatov, V.Ya.,
Heat capacity of liquids. 2. Heat capacity and the temperature dependence of heat capacity from halogen derivatives of acylic hydrocarbons,
Zh. Obshch. Kim., 1948, 18, 372-389. [all data]
Phillip, 1939
Phillip, N.M.,
Adiabatic and isothermal compressibilities of liquids,
Proc. Indian Acad. Sci., 1939, A9, 109-120. [all data]
Richards and Wallace, 1932
Richards, W.T.; Wallace, J.H., Jr.,
The specific heats of five organic liquids from their adiabatic temperature-pressure coefficients,
J. Am. Chem. Soc., 1932, 54, 2705-2713. [all data]
Williams and Daniels, 1925
Williams, J.W.; Daniels, F.,
The specific heats of binary mixtures,
J. Am. Chem. Soc., 1925, 47, 1490-1503. [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]
Stull, 1937
Stull, D.R.,
A Semi-micro Calorimeter for Measuring Heat Capacities at Low Temp.,
J. Am. Chem. Soc., 1937, 59, 2726. [all data]
Campbell and Chatterjee, 1969
Campbell, A.N.; Chatterjee, R.M.,
The critical constants and orthobaric densities of acetone, chloroform benzene, and carbon tetrachloride,
Can. J. Chem., 1969, 47, 3893-8. [all data]
Campbell and Chatterjee, 1968
Campbell, A.N.; Chatterjee, R.M.,
Orthobaric Data of Certain Pure Liquids in the Neighborhood of the Critical Point,
Can. J. Chem., 1968, 46, 575-81. [all data]
Herz and Neukirch, 1923
Herz, W.; Neukirch, E.,
On Knowldge of the Critical State,
Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1923, 104, 433-50. [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]
Majer, Sváb, et al., 1980
Majer, V.; Sváb, L.; Svoboda, V.,
Enthalpies of vaporization and cohesive energies for a group of chlorinated hydrocarbons,
The Journal of Chemical Thermodynamics, 1980, 12, 9, 843-847, https://doi.org/10.1016/0021-9614(80)90028-2
. [all data]
Mathews, 1926
Mathews, J.H.,
The accurate measurement of heats of vaporization of liquids,
J. Am. Chem. Soc., 1926, 48, 562-576. [all data]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]
Chen, Wang, et al., 1995
Chen, Geng-Hua; Wang, Qi; Ma, Zhong-Min; Yan, Xin-Huan; Han, Shi-Jun,
Phase equilibria at superatmospheric pressures for systems containing halohydrocarbon, aromatic hydrocarbon, and alcohol,
J. Chem. Eng. Data, 1995, 40, 2, 361-366, https://doi.org/10.1021/je00018a003
. [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]
Boublík and Aim, 1972
Boublík, T.; Aim, K.,
Heats of vaporization of simple non-spherical molecule compounds,
Collect. Czech. Chem. Commun., 1972, 37, 11, 3513-3521, https://doi.org/10.1135/cccc19723513
. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Scatchard and Raymond, 1938
Scatchard, George; Raymond, C.L.,
Vapor---Liquid Equilibrium. II. Chloroform---Ethanol Mixtures at 35, 45 and 55°,
J. Am. Chem. Soc., 1938, 60, 6, 1278-1287, https://doi.org/10.1021/ja01273a002
. [all data]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Yamdagni and Kebarle, 1971
Yamdagni, R.; Kebarle, P.,
Hydrogen bonding energies to negative ions from gas phase measurements of ionic equilibria,
J. Am. Chem. Soc., 1971, 93, 7139. [all data]
Hiraoka, Mizuno, et al., 2001
Hiraoka, K.; Mizuno, T.; Iino, T.; Eguchi, D.; Yamabe, S.,
Characteristic changes of bond energies for gas-phase cluster ions of halide ions with methane and chloromethanes,
J. Phys. Chem. A, 2001, 105, 20, 4887-4893, https://doi.org/10.1021/jp010143n
. [all data]
Giles and Grimsrud, 1993
Giles, K.; Grimsrud, E.P.,
Measurements of Equilibria and Reactivity of Cluster Ions at Atmospheric Pressure - Reactions of Cl-(CHCl3)0-2 with CH3Br and CH3I,
J. Phys. Chem., 1993, 97, 7, 1318, https://doi.org/10.1021/j100109a012
. [all data]
Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B.,
Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria,
J. Am. Chem. Soc., 1984, 106, 517. [all data]
Dougherty, Dalton, et al., 1974
Dougherty, R.C.; Dalton, J.; Roberts, J.D.,
SN2 reactions in the gas phase: Structure of the transition state,
Org. Mass Spectrom., 1974, 8, 77. [all data]
Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B.,
Gas phase negative ion chemistry of alkylchloroformates,
Can. J. Chem., 1984, 62, 675. [all data]
Paulino and Squires, 1991
Paulino, J.A.; Squires, R.R.,
Carbene Thermochemistry from Collision-Induced Dissociation Threshold Energy Measurements - The Heats of Formation of X1A1 CF2 and X1A1 CCl2,
J. Am. Chem. Soc., 1991, 113, 15, 5573, https://doi.org/10.1021/ja00015a009
. [all data]
Bohme, Lee-Ruff, et al., 1972
Bohme, D.K.; Lee-Ruff, E.; Young, L.B.,
Acidity order of selected bronsted acids in the gas phase at 300K,
J. Am. Chem. Soc., 1972, 94, 5153. [all data]
Born, Ingemann, et al., 2000
Born, M.; Ingemann, S.; Nibbering, N.M.M.,
Thermochemical properties of halogen-substituted methanes, methyl radicals, and carbenes in the gas phase,
Int. J. Mass Spectrom., 2000, 194, 2-3, 103-113, https://doi.org/10.1016/S1387-3806(99)00125-6
. [all data]
Larson and McMahon, 1987
Larson, J.W.; McMahon, T.B.,
Hydrogen bonding in gas phase anions. The energetics of interaction between cyanide ion and bronsted acids,
J. Am. Chem. Soc., 1987, 109, 6230. [all data]
Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P.,
Hydration of CN-, NO2-, NO3-, and HO- in the gas phase,
Can. J. Chem., 1971, 49, 3308. [all data]
Nolan, López de la Vega, et al., 1986
Nolan, S.P.; López de la Vega, R.; Hoff, C.D.,
J. Organometal. Chem., 1986, 315, 187. [all data]
Nolan, López de la Vega, et al., 1986, 2
Nolan, S.P.; López de la Vega, R.; Hoff, C.D.,
Organometallics, 1986, 5, 2529. [all data]
Sharma, Meza de Hojer, et al., 1985
Sharma, D.M.S.; Meza de Hojer, S.; Kebarle, P.,
Stabilities of halonium ions from a study of gas-phase equilibria R+ + XR' = (RXR')+,
J. Am. Chem. Soc., 1985, 107, 13, 3757, https://doi.org/10.1021/ja00299a002
. [all data]
Pritchard and Skinner, 1950
Pritchard, H.O.; Skinner, H.A.,
The heats of hydrolysis of chloral and bromal, and the C-C bond dissociation energies in chloral and bromal,
J. Am. Chem. Soc., 1950, 1928-1931. [all data]
Kirkbride, 1956
Kirkbride, F.W.,
The heats of chlorination of some hydrocarbons and their chloro-derivatives,
J. Appl. Chem., 1956, 6, 11-21. [all data]
Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G.,
Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions,
Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103
. [all data]
Mendenhall, Golden, et al., 1973
Mendenhall, G.D.; Golden, D.M.; Benson, S.W.,
Thermochemistry of the bromination of carbon tetrachloride and the heat of formation of carbon tetrachloride,
J. Phys. Chem., 1973, 77, 2707-2709. [all data]
Hess and Kemnitz, 1992
Hess, A.; Kemnitz, E.,
Heterogeneously catalyzed dismutation and conmutation reactions of CHCl3-nFnchlorofluorocarbons. A kinetic study,
Appl. Catal. A:, 1992, 82, 247-257. [all data]
Calado, Dias, et al., 1979
Calado, J.C.G.; Dias, A.R.; Martinho Simões, J.A.; Ribeiro da Silva, M.A.V.,
J. Organometal. Chem., 1979, 174, 77. [all data]
Sullivan and Davidson, 1951
Sullivan, J.H.; Davidson, N.,
The kinetics of the forward and reverse reactions for the vapor phase thermal bromination of chloroform,
J. Chem. Phys., 1951, 19, 143-148. [all data]
Barr and Newsham, 1987
Barr, R.S.; Newsham, D.M.T.,
Phase Equilibrtia in Very Dilute Mixtures of Water and Chlorinated Hydrocarbons. Part I - Experimental Results,
Fluid Phase Equilibria, 1987, 35, 189-205. [all data]
Gossett, 1987
Gossett, J.M.,
Measurement of Henry's Law Constants for C1 and C2 Chlorinated Hydrocarbons,
Environ. Sci. Technol., 1987, 21, 202-208. [all data]
Nicholson, Maguire, et al., 1984
Nicholson, B.C.; Maguire, B.P.; Bursill, D.B.,
Henry's Law Constants for the Trihalomethanes: Effects of Water Composition and Temperature,
Environ. Sci. Technol., 1984, 18, 518-521. [all data]
Leighton and Calo, 1981
Leighton, D.T.; Calo, J.M.,
Distribution Coefficients of Chlorinated Hydrocarbons in Dilute Air-Water Systems for Groundwater Contamination Applications,
J. Chem. Eng. Data, 1981, 26, 382-385. [all data]
Pearson and McConnell, 1975
Pearson, C.R.; McConnell, G.,
Chlorinated C1 and C2 Hydrocarbons in the Marine Environment,
Proc. R. Soc. London, B, 1975, 189, 305-332. [all data]
Staneke, Groothuis, et al., 1995
Staneke, P.O.; Groothuis, G.; Ingemann, S.; Nibbering, N.M.M.,
Formation, stability and structure of radical anions of chloroform, tetrachloromethane and fluorotrichloromethane in the gas phase,
Int. J. Mass Spectrom. Ion Proc., 1995, 142, 1-2, 83, https://doi.org/10.1016/0168-1176(94)04127-S
. [all data]
Gaines, Kay, et al., 1966
Gaines, A.F.; Kay, J.; Page, F.M.,
Determination of Electron Affinities. Part 8. - CCl4, CHCl3, and CH2Cl2,
Trans. Farad. Soc., 1966, 62, 874, https://doi.org/10.1039/tf9666200874
. [all data]
Wang and Leroi, 1983
Wang, F.C.-Y.; Leroi, G.E.,
Photoionization and fragmentation of halogenated methanes,
Ann. Isr. Phys. Soc., 1983, 6, 210. [all data]
Von Niessen, Asbrink, et al., 1982
Von Niessen, W.; Asbrink, L.; Bieri, G.,
30.4 nm He(II) Photoelectron spectra of organic molecules. Part VI. Halogeno-compounds (C,H,X: X = Cl, Br, I),
J. Electron Spectrosc. Relat. Phenom., 1982, 26, 173. [all data]
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]
Werner, Tsai, et al., 1974
Werner, A.S.; Tsai, B.P.; Baer, T.,
Photoionization study of the ionization potentials fragmentation paths of the chlorinated methanes carbon tetrabromide,
J. Chem. Phys., 1974, 60, 3650. [all data]
Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D.,
Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation,
J. Chem. Phys., 1969, 50, 654. [all data]
Cermak, 1968
Cermak, V.,
Penning ionization electron spectroscopy. I. Determination of ionization potentials of polyatomic molecules,
Collection Czech. Chem. Commun., 1968, 33, 2739. [all data]
Watanabe, 1957
Watanabe, K.,
Ionization potentials of some molecules,
J. Chem. Phys., 1957, 26, 542. [all data]
Dixon, Murrell, et al., 1971
Dixon, R.N.; Murrell, J.N.; Narayan, B.,
The photoelectron spectra of the halomethanes,
Mol. Phys., 1971, 20, 611. [all data]
Reed and Snedden, 1956
Reed, R.I.; Snedden, W.,
Studies in electron impact methods. Part 6.-The formation of the methine and carbon ions,
J. Chem. Soc. Faraday Trans., 1956, 55, 876. [all data]
Hobrock and Kiser, 1964
Hobrock, D.L.; Kiser, R.W.,
Electron impact studies of some trihalomethanes: trichloromethane, dichlorofluoro-methane, chlorodifluoromethane, and trifluoromethane,
J. Phys. Chem., 1964, 68, 575. [all data]
Shapiro and Lossing, 1968
Shapiro, J.S.; Lossing, F.P.,
Free radicals by mass spectrometry. XXXVII. The ionization potential and heat of formation of dichlorocarbene,
J. Phys. Chem., 1968, 72, 1552. [all data]
Martin, Lampe, et al., 1966
Martin, R.H.; Lampe, F.W.; Taft, R.W.,
An electron-impact study of ionization and dissociation in methoxy- and halogen- substituted methanes,
J. Am. Chem. Soc., 1966, 88, 1353. [all data]
Ogawa, Miyoshi, et al., 1982
Ogawa, T.; Miyoshi, F.; Higo, M.,
Translational energy distribution and relative emission cross section of excited hydrogen atom produced in electron-chloroform collisions,
Bull. Chem. Soc. Jpn., 1982, 55, 1790. [all data]
Holmes, Lossing, et al., 1988
Holmes, J.L.; Lossing, F.P.; McFarlane, R.A.,
Stabilization energy and positional effects in halogen-substituted alkyl ions.,
Int. J. Mass Spectrom. Ion Phys., 1988, 86, 209. [all data]
Lossing, 1972
Lossing, F.P.,
Free radicals by mass spectrometry. XLIV. Ionization potentials bond dissociation energies for chloro-and fluoromethyl radicals,
Bull. Soc. Chim. Belg., 1972, 81, 125. [all data]
Harrison and Shannon, 1962
Harrison, A.G.; Shannon, T.W.,
An electron impact study of chloromethyl and dichloromethyl derivatives,
Can. J. Chem., 1962, 40, 1730. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Wang, Liu, et al., 2005
Wang, Y.; Liu, J.; Li, N.; Shi, G.; Jiang, G.; Ma, W.,
Preliminary study of the retention behavior for different compounds using cryogenic chromatography at different initial temperatures,
Microchem. J., 2005, 81, 2, 184-190, https://doi.org/10.1016/j.microc.2005.02.003
. [all data]
Dallos, Sisak, et al., 2000
Dallos, A.; Sisak, A.; Kulcsár, Z.; Kováts, E.,
Pair-wise interactions by gas chromatography VII. Interaction free enthalpies of solutes with secondary alcohol groups,
J. Chromatogr. A, 2000, 904, 2, 211-242, https://doi.org/10.1016/S0021-9673(00)00908-0
. [all data]
Annino and Villalobos, 1999
Annino, R.; Villalobos, R.,
A strategy for the simplification and solution of complex chromatographic analysis problems utilizing two-dimensional mapping of retention indexes followed by computer modeling of heart cuts from serially coupled columns containing different stationary phases,
J. Hi. Res. Chromatogr., 1999, 22, 10, 589-593. [all data]
Dewulf, Van Langenhove, et al., 1997
Dewulf, J.; Van Langenhove, H.; Everaert, M.,
Solid-phase microextraction of volatile organic compounds estimation of the sorption equilibrium from the Kováts index, effect of salinity and humic acids and the study of the kinetics by the development of an agitated/static layer model,
J. Chromatogr. A, 1997, 761, 1-2, 205-217, https://doi.org/10.1016/S0021-9673(96)00810-2
. [all data]
Villalobos, 1995
Villalobos, R.,
A window diagram for key component analysis in on-line gas chromatography,
J. Hi. Res. Chromatogr., 1995, 18, 6, 343-347, https://doi.org/10.1002/jhrc.1240180604
. [all data]
Reddy, Dutoit, et al., 1992
Reddy, K.S.; Dutoit, J.-Cl.; Kovats, E. sz.,
Pair-wise interactions by gas chromatography. I. Interaction free enthalpies of solutes with non-associated primary alcohol groups,
J. Chromatogr., 1992, 609, 1-2, 229-259, https://doi.org/10.1016/0021-9673(92)80167-S
. [all data]
Dutoit, 1991
Dutoit, J.,
Gas chromatographic retention behaviour of some solutes on structurally similar polar and non-polar stationary phases,
J. Chromatogr., 1991, 555, 1-2, 191-204, https://doi.org/10.1016/S0021-9673(01)87179-X
. [all data]
Castello and Gerbino, 1988
Castello, G.; Gerbino, T.C.,
Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases,
J. Chromatogr., 1988, 437, 33-45, https://doi.org/10.1016/S0021-9673(00)90369-8
. [all data]
Pacáková, Vojtechová, et al., 1988
Pacáková, V.; Vojtechová, H.; Coufal, P.,
Reaction gas chromatography: study of the photodecomposition of halogenated hydrocarbons,
Chromatographia, 1988, 25, 7, 621-626, https://doi.org/10.1007/BF02327659
. [all data]
Winskowski, 1983
Winskowski, J.,
Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen Detektoren,
Chromatographia, 1983, 17, 3, 160-165, https://doi.org/10.1007/BF02271041
. [all data]
Goebel, 1982
Goebel, K.-J.,
Gaschromatographische Identifizierung Niedrig Siedender Substanzen Mittels Retentionsindices und Rechnerhilfe,
J. Chromatogr., 1982, 235, 1, 119-127, https://doi.org/10.1016/S0021-9673(00)95793-5
. [all data]
Riedo, Fritz, et al., 1976
Riedo, F.; Fritz, D.; Tarján, G.; Kováts, E.Sz.,
A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography,
J. Chromatogr., 1976, 126, 63-83, https://doi.org/10.1016/S0021-9673(01)84063-2
. [all data]
Brown, Chapman, et al., 1968
Brown, I.; Chapman, I.L.; Nicholson, G.J.,
Gas chromatography of polar solutes in electron acceptor stationary phases,
Aust. J. Chem., 1968, 21, 5, 1125-1141, https://doi.org/10.1071/CH9681125
. [all data]
Rohrschneider, 1966
Rohrschneider, L.,
Eine methode zur charakterisierung von gaschromatographischen trennflüssigkeiten,
J. Chromatogr., 1966, 22, 6-22, https://doi.org/10.1016/S0021-9673(01)97064-5
. [all data]
von Kováts, 1958
von Kováts, E.,
206. Gas-chromatographische Charakterisierung organischer Verbindungen. Teil 1: Retentionsindices aliphatischer Halogenide, Alkohole, Aldehyde und Ketone,
Helv. Chim. Acta, 1958, 41, 7, 1915-1932, https://doi.org/10.1002/hlca.19580410703
. [all data]
Shimadzu, 2003
Shimadzu,
Gas chromatography analysis of organic solvents using capillary columns (No. 2), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]
Takeoka, Flath, et al., 1990
Takeoka, G.R.; Flath, R.A.; Mon, T.R.; Teranishi, R.; Guentert, M.,
Volatile Constituents of Apricot (Prunus armeniaca),
J. Agric. Food Chem., 1990, 38, 2, 471-477, https://doi.org/10.1021/jf00092a031
. [all data]
Rembold, Wallner, et al., 1989
Rembold, H.; Wallner, P.; Nitz, S.; Kollmannsberger, H.; Drawert, F.,
Volatile components of chickpea (Cicer arietinum L.) seed,
J. Agric. Food Chem., 1989, 37, 3, 659-662, https://doi.org/10.1021/jf00087a018
. [all data]
Castello, Vezzani, et al., 1991
Castello, G.; Vezzani, S.; Gerbino, T.,
Gas chromatographic separation and automatic identification of complex mixtures of organic solvents in indrustrial wates,
J. Chromatogr., 1991, 585, 2, 273-280, https://doi.org/10.1016/0021-9673(91)85088-W
. [all data]
Isidorov, Vinogorova, et al., 2003
Isidorov, V.A.; Vinogorova, V.T.; Rafalowski, K.,
HS-SPME analysis of volatile organic compounds of coniferous needle litter,
Atmos. Environ., 2003, 37, 33, 4645-4650, https://doi.org/10.1016/j.atmosenv.2003.07.005
. [all data]
Helmig, Pollock, et al., 1996
Helmig, D.; Pollock, W.; Greenberg, J.; Zimmerman, P.,
Gas chromatography mass spectrometry analysis of volatile organic trace gases at Mauna Loa Observatory, Hawaii,
J. Geophys. Res., 1996, 101, D9, 14697-14710, https://doi.org/10.1029/96JD00212
. [all data]
White, Hackett, et al., 1992
White, C.M.; Hackett, J.; Anderson, R.R.; Kail, S.; Spock, P.S.,
Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane,
J. Hi. Res. Chromatogr., 1992, 15, 2, 105-120, https://doi.org/10.1002/jhrc.1240150211
. [all data]
Misharina, Aerove, et al., 1991
Misharina, T.A.; Aerove, A.F.; Golovnya, R.E.; Kalugina, V.I.; Rogovskaya, L.V.; Vysotskaya, L.E.; Shevtsov, V.K.,
Identification of volatile components of an aromatizer with a chicken odor by chromatography-mass spectrometry and chromatography-fourier transform infrared spectroscopy,
J. Anal. Chem. USSR (Engl. Transl.), 1991, 8, 1187-1193. [all data]
Weber, 1986
Weber, L.,
Utilization of the Sadtler standard RI system in micropollution analyses,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 8, 446-451, https://doi.org/10.1002/jhrc.1240090806
. [all data]
Fernandez-Segovia, Escriche, et al., 2006
Fernandez-Segovia, I.; Escriche, I.; Gomez-Sintes, M.; Fuentes, A.; Serra, J.A.,
In?uence of di?erent preservation treatments on the volatile fraction of desalted cod,
Food Chem., 2006, 98, 3, 473-482, https://doi.org/10.1016/j.foodchem.2005.06.021
. [all data]
Alasalvar, Taylor, et al., 2005
Alasalvar, C.; Taylor, K.D.A.; Shahidi, F.,
Comparison of volatiles of cultured and wild sea bream (Sparus aurata) during storage in ice by dynamic headspace analysis/gas chromatography-mass spectrometry,
J. Agric. Food Chem., 2005, 53, 7, 2616-2622, https://doi.org/10.1021/jf0483826
. [all data]
Elmore, Nisyrios, et al., 2005
Elmore, J.S.; Nisyrios, I.; Mottram, D.S.,
Analysis of the headspace aroma compounds of walnuts (Juglans regia L.),
Flavour Fragr. J., 2005, 20, 5, 501-506, https://doi.org/10.1002/ffj.1477
. [all data]
Chung, Yung, et al., 2002
Chung, H.-Y.; Yung, I.K.S.; Ma, W.C.J.; Kim, J.-S.,
Analysis of volatile components in frozen and dried scallops (Patinopecten yessoensis) by gas chromatography/mass spectrometry,
Food Res. Int., 2002, 35, 1, 43-53, https://doi.org/10.1016/S0963-9969(01)00107-7
. [all data]
Chung, Yung, et al., 2001
Chung, H.Y.; Yung, I.K.S.; Kim, J.-S.,
Comparison of volatile components in dried scallops (Chlamys farreri and Patinopecten yessoensis) prepared by boiling and steaming methods,
J. Agric. Food Chem., 2001, 49, 1, 192-202, https://doi.org/10.1021/jf000692a
. [all data]
Cha, Kim, et al., 1998
Cha, Y.J.; Kim, H.; Cadwallader, K.R.,
Aroma-active compounds in Kimchi during fermentation,
J. Agric. Food Chem., 1998, 46, 5, 1944-1953, https://doi.org/10.1021/jf9706991
. [all data]
Ott, Fay, et al., 1997
Ott, A.; Fay, L.B.; Chaintreau, A.,
Determination and origin of the aroma impact compounds of yogurt flavor,
J. Agric. Food Chem., 1997, 45, 3, 850-858, https://doi.org/10.1021/jf960508e
. [all data]
Shimoda, Peralta, et al., 1996
Shimoda, M.; Peralta, R.R.; Osajima, Y.,
Headspace gas analysis of fish sauce,
J. Agric. Food Chem., 1996, 44, 11, 3601-3605, https://doi.org/10.1021/jf960345u
. [all data]
Shimoda, Wu, et al., 1996
Shimoda, M.; Wu, Y.; Osajima, Y.,
Aroma compounds from aqueous solution of Haze (Rhus succedanea) honey determined by adsorptive column chromatography,
J. Agric. Food Chem., 1996, 44, 12, 3913-3918, https://doi.org/10.1021/jf9601168
. [all data]
Iwaoka, Hagi, et al., 1994
Iwaoka, W.; Hagi, Y.; Umano, K.; Shibamoto, T.,
Volatile chemicals identified in fresh and cooked breadfruit,
J. Agric. Food Chem., 1994, 42, 4, 975-976, https://doi.org/10.1021/jf00040a026
. [all data]
Sumitani, Suekane, et al., 1994
Sumitani, H.; Suekane, S.; Nakatani, A.; Tatsuka, K.,
Changes in composition of volatile compounds in high pressure treated peach,
J. Agric. Food Chem., 1994, 42, 3, 785-790, https://doi.org/10.1021/jf00039a037
. [all data]
Chung and Cadwallader, 1993
Chung, H.Y.; Cadwallader, K.R.,
Volatile components in blue crab (Callinectes sapidus) meat and processing by-product,
J. Food Sci., 1993, 58, 6, 1203-1207, https://doi.org/10.1111/j.1365-2621.1993.tb06148.x
. [all data]
Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M.,
Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness,
J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393
. [all data]
Verzera, Ziino, et al., 2004
Verzera, A.; Ziino, M.; Condurso, C.; Romeo, V.; Zappala, M.,
Solid-phase microextraction and gas chromatography-mass spectrometry for rapid characterisation of semi-hard cheeses,
Anal. Bioanal. Chem., 2004, 380, 7-8, 930-936, https://doi.org/10.1007/s00216-004-2879-4
. [all data]
Larráyoz, Addis, et al., 2001
Larráyoz, P.; Addis, M.; Gauch, R.; Bosset, J.O.,
Comparison of dynamic headspace and simultaneous distillation extraction techniques used for the analysis of the volatile components in three European PDO ewes milk cheeses,
Int. Dairy J., 2001, 11, 11-12, 911-926, https://doi.org/10.1016/S0958-6946(01)00144-3
. [all data]
Radovic, Careri, et al., 2001
Radovic, B.S.; Careri, M.; Mangia, A.; Musci, M.; Gerboles, M.; Anklam, E.,
Analytical, nutritional, and clinical methods section. Contribution of dynamic headspace GC-MS analysis of aroma compounds to authenticity testing of honey,
Food Chem., 2001, 72, 4, 511-520, https://doi.org/10.1016/S0308-8146(00)00263-6
. [all data]
Shimadzu, 2003, 2
Shimadzu,
Gas chromatography analysis of organic solvents using capillary columns (No. 3), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]
Dufka, Malinsky, et al., 1971
Dufka, O.; Malinsky, J.; Vladyka, J.,
Sorpcni materialy pro plynovou chromatographii - III,
Chemicky promysl., 1971, 21/46, 9, 459-463. [all data]
Anderson, 1968
Anderson, D.G.,
USe of Kovats retention indices and response factors for the qualitative and quantitative analysis of coating solvents,
J. Paint Technol., 1968, 40, 527, 549-557. [all data]
MHA, 9999
MHA, Directorate of ForensicScience.,
Forensic Toxicology, 9999. [all data]
Kotowska, Zalikowski, et al., 2012
Kotowska, U.; Zalikowski, M.; Isidorov, V.A.,
HS-SPME/GC-MS analysis of volatile and semi-volatile organic compounds emitted from municipal sewage sludge,
Environ. Monit. Asses., 2012, 184, 5, 2893-2907, https://doi.org/10.1007/s10661-011-2158-8
. [all data]
Supelco, 2012
Supelco, CatalogNo. 24160-U,
Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]
Kim and Chung, 2009
Kim, J.-S.; Chung, H.Y.,
GC-MS analysis of the volatile components in dried boxthorn (Lycium chimensis) Fruit,
J. Korean Soc. Appl. Biol. Chem., 2009, 52, 5, 516-524, https://doi.org/10.3839/jksabc.2009.088
. [all data]
Vasta, Ratel, et al., 2007
Vasta, V.; Ratel, J.; Engel, E.,
Mass Spectrometry Analysis of Volatile Compounds in Raw Meat for the Authentication of the Feeding Background of Farm Animals,
J. Agric. Food Chem., 2007, 55, 12, 4630-4639, https://doi.org/10.1021/jf063432n
. [all data]
Isidorov and Jdanova, 2002
Isidorov, V.; Jdanova, M.,
Volatile organic compounds from leaves litter,
Chemosphere, 2002, 48, 9, 975-979, https://doi.org/10.1016/S0045-6535(02)00074-7
. [all data]
Health Safety Executive, 2000
Health Safety Executive,
MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography
in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [all data]
Huang, Liang, et al., 1996
Huang, C.; Liang, H.; Han, S.,
The analysis of organic compounds in waste water by gas extraction/thermal desorption/gas chromatography-mass spectrometry,
Chin. J. Chromatogr., 1996, 14, 6, 421-424. [all data]
Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F.,
Volatile components of Rooibos tea (Aspalathus linearis),
J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024
. [all data]
Pugliese, Sirtori, et al., 2009
Pugliese, C.; Sirtori, F.; Ruiz, J.; Martin, D.; Parenti, S.; Franci, O.,
Effect of pasture on chestnut or acorn on fatty acid composition and aromatic profile of fat of China Senece dry-cured ham,
Gracas y Aceites, 2009, 60, 3, 271-276, https://doi.org/10.3989/gya.130208
. [all data]
Rotsatschakul, Visesanguan, et al., 2009
Rotsatschakul, P.; Visesanguan, W.; Smitinont, T.; Chaiseri, S.,
Changes in volatile compounds during fermentation of nham (Thai fermented sausage),
Int. Food Res. J., 2009, 16, 391-414. [all data]
Zenkevich, Eliseenkov, et al., 2006
Zenkevich, I.G.; Eliseenkov, E.V.; Kasatochkin, A.N.,
Application of Retention Indices in GC-MS Identification of Halogenated Organic Compounds,
Mass Spectromery (Rus.), 2006, 3, 2, 131-140. [all data]
Zenkevich, 2001
Zenkevich, I.G.,
Comparative Characterization of Conditions for Unambuguous Chromatographic Identification of Organic Compounds,
Zh. Anal. Khim., 2001, 56, 9, 915-924. [all data]
Timón, Ventanas, et al., 1998
Timón, M.L.; Ventanas, J.; Martín, L.; Tejeda, J.F.; García, C.,
Volatile compounds in supercritical carbon dioxide extracts of Iberian ham,
J. Agric. Food Chem., 1998, 46, 12, 5143-5150, https://doi.org/10.1021/jf980652v
. [all data]
Zenkevich, 1998
Zenkevich, I.G.,
Reciprocally Unambiguous Conformity Between GC Retention Indices and Boiling Points within Two- and Multidimensional Taxonomic Groups of Organic Compounds,
J. Hi. Res. Chromatogr., 1998, 21, 10, 565-568, https://doi.org/10.1002/(SICI)1521-4168(19981001)21:10<565::AID-JHRC565>3.0.CO;2-6
. [all data]
Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D.,
Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]
Mateo and Zumalacárregui, 1996
Mateo, J.; Zumalacárregui, J.M.,
Volatile compounds in chorizo and their changes during ripening,
Meat Sci., 1996, 44, 4, 255-273, https://doi.org/10.1016/S0309-1740(96)00028-9
. [all data]
Sorimachi, Tanabe, et al., 1995
Sorimachi, J.; Tanabe, A.; Mitobe, H.; Kuniaki, K.; Masaaki, S.,
Programmed temperature retention indices for volatile organic compounds on headspace GC/MS analysis,
Niigata-ken Eisei Kogai Kenkyusho Nenpo, 1995, 11, 75-79. [all data]
Zenkevich, Korolenko, et al., 1995
Zenkevich, I.G.; Korolenko, L.I.; Khralenkova, N.B.,
Desorption with solvent vapor as a method of sample preparation in the sorption preconcentration of organic-compounds from the air of a working area and from industrial-waste gases,
J. Appl. Chem. USSR (Engl. Transl.), 1995, 50, 10, 937-944. [all data]
Ciccioli, Cecinato, et al., 1994
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Brachetti, A.; Frattoni, M.; Sparapani, R.,
Composition and Distribution of Polar and Non-Polar VOCs in Urban, Rural, Forest and Remote Areas,
Eur Commission EUR, 1994, 549-568. [all data]
Ciccioli, Brancaleoni, et al., 1993
Ciccioli, P.; Brancaleoni, E.; Cecinato, A.; Sparapani, R.; Frattoni, M.,
Identification and determination of biogenic and anthropogenic volatile organic compounds in forest areas of Northern and Southern Europe and a remote site of the Himalaya region by high-resolution gas chromatography-mass spectrometry,
J. Chromatogr., 1993, 643, 1-2, 55-69, https://doi.org/10.1016/0021-9673(93)80541-F
. [all data]
Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J.,
Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning,
Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111
. [all data]
Weller and Wolf, 1989
Weller, J.-P.; Wolf, M.,
Massenspektroskopie und Headspace-GC,
Beitr. Gerichtl. Med., 1989, 47, 525-532. [all data]
Schultz, Flath, et al., 1988
Schultz, T.H.; Flath, R.A.; Stern, D.J.; Mon, T.R.; Teranishi, R.; McKenna Kruse, S.; Butlder, B.; Howard, W.E.,
Coyote estrous urine volatiles,
J. Chem. Ecol., 1988, 14, 2, 701-712, https://doi.org/10.1007/BF01013917
. [all data]
Takeoka, Flath, et al., 1988
Takeoka, G.R.; Flath, R.A.; Güntert, M.; Jennings, W.,
Nectarine volatiles: vacuum steam distillation versus headspace sampling,
J. Agric. Food Chem., 1988, 36, 3, 553-560, https://doi.org/10.1021/jf00081a037
. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J.,
Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse,
J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5
. [all data]
Heydanek and McGorrin, 1981
Heydanek, M.G.; McGorrin, R.J.,
Gas chromatography-mass spectroscopy investigations on the flavor chemistry of oat groats,
J. Agric. Food Chem., 1981, 29, 5, 950-954, https://doi.org/10.1021/jf00107a016
. [all data]
Puvipirom and Chaisei, 2012
Puvipirom, J.; Chaisei, S.,
Contribution of roasted grains and seeds in aroma of oleang (Thai coffee drink),
Int. Food Res. J., 2012, 19, 2, 583-588. [all data]
Shimadzu, 2012
Shimadzu, Pharmaceutical Related,
Analysis of pharmaceutical residual solvent (observation of separation) (1) - GC, 2012, retrieved from www.shimadzu.ru/applications/Applicationspdf/GC/Pharma/Pharmaceutical residual solvents GC.pdf. [all data]
Shimadzu Corporation, 2003
Shimadzu Corporation,
Analysis of pharmaceutical residual solvent (observation of separation), 2003, retrieved from http://www.shimadzu.com.br/analitica/aplicacoes/book/pharm69.pdf. [all data]
Duque, Bonilla, et al., 2001
Duque, C.; Bonilla, A.; Bautista, E.; Zea, S.,
Exudation of low molecular wight compounds (thiobismethane, methyl isocyanide, amd methyl isothiocyanate) as a possible chemical defense mechanism in the marine sponge Ircinia felix,
Biochem. Systematics Ecol., 2001, 29, 5, 459-467, https://doi.org/10.1016/S0305-1978(00)00081-8
. [all data]
Kobayashi, Tsuda, et al., 1995
Kobayashi, A.; Tsuda, Y.; Hirata, N.; Kubota, K.; Kitamura, K.,
Aroma constituents of soybean [Glycine max (L.) Merril] milk lacking lipoxygenase isozymes,
J. Agric. Food Chem., 1995, 43, 9, 2449-2452, https://doi.org/10.1021/jf00057a025
. [all data]
Takeoka and Butter, 1989
Takeoka, G.; Butter, R.G.,
Volatile constituents of pineapple (Ananas Comosus [L.] Merr.)
in Flavor Chemistry. Trends and Developments, Teranishi,R.; Buttery,R.G.; Shahidi,F., ed(s)., American Chemical Society, Washington, DC, 1989, 223-237. [all data]
Soria, Martinez-Castro, et al., 2009
Soria, A.C.; Martinez-Castro, I.; Sanz, J.,
Study of the precision in the purge-and-trap-gas-chromatography-mass-spectrometry analysis of volatile compounds in honey,
J. Chromatogr. A., 2009, 1216, 15, 3300-3304, https://doi.org/10.1016/j.chroma.2009.01.065
. [all data]
Soria, Martinez-Castro, et al., 2008
Soria, A.C.; Martinez-Castro, I.; Sanz, J.,
Some aspects of dynamic headspace analysis of volatile components in honey,
Foog Res. International, 2008, 41, 8, 838-848, https://doi.org/10.1016/j.foodres.2008.07.010
. [all data]
Berard, Bianchi, et al., 2007
Berard, J.; Bianchi, F.; Careri, M.; Chatel, A.; Mangia, A.; Musci, M.,
Characterization of the volatile fraction and of free fatty acids of Fontina Valle d'Aosta, a protected designation of origin Italian cheese,
Food Chem., 2007, 105, 1, 293-300, https://doi.org/10.1016/j.foodchem.2006.11.041
. [all data]
Pontes, Marques, et al., 2007
Pontes, M.; Marques, J.C.; Camara, J.S.,
Screening of volatile composition from Portuguese multifloral honeys using headspace solid-phase microextraction-gas chromatography-quadrupole mass spectrometry,
Talanta, 2007, 74, 1, 91-103, https://doi.org/10.1016/j.talanta.2007.05.037
. [all data]
le Pape, Grua-Priol, et al., 2004
le Pape, M.-A.; Grua-Priol, J.; Prost, C.; Demaimay, M.,
Optimization of dynamic headspace extraction of the edible red algae Palmaria palmata and identification of the volatile components,
J. Agric. Food Chem., 2004, 52, 3, 550-556, https://doi.org/10.1021/jf030478x
. [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, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, NIST Subscription Links, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid EA Electron affinity IE (evaluated) Recommended ionization energy Pc Critical pressure S°gas,1 bar Entropy of gas at standard conditions (1 bar) Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature 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 ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- 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.