Methylene chloride
- Formula: CH2Cl2
- Molecular weight: 84.933
- IUPAC Standard InChIKey: YMWUJEATGCHHMB-UHFFFAOYSA-N
- CAS Registry Number: 75-09-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: Methane, dichloro-; Aerothene MM; Dichloromethane; Freon 30; Methylene dichloride; Narkotil; Solaesthin; Solmethine; CH2Cl2; Methane dichloride; Methylene bichloride; Chlorure de methylene; Metylenu chlorek; NCI-C50102; R 30; Rcra waste number U080; UN 1593; Methoklone; Salesthin; F 30; F 30 (chlorocarbon); HCC 30; Khladon 30; Metaclen; NSC 406122; Soleana VDA
- 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, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -95.52 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1968 |
ΔfH°gas | -95.1 ± 2.5 | kJ/mol | Review | Manion, 2002 | derived from recommended ΔfHliquid° and ΔvapH°; DRB |
ΔfH°gas | -95.7 ± 1.3 | kJ/mol | Chyd | Lacher, Amador, et al., 1967 | Reanalyzed by Cox and Pilcher, 1970, Original value = -96.0 ± 1.3 kJ/mol; At 250 C; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 270.28 | 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 | 19.17351 | 95.12993 |
B | 136.8444 | 6.721722 |
C | -95.12993 | -1.288196 |
D | 26.03105 | 0.085646 |
E | -0.119405 | -14.93885 |
F | -106.9338 | -157.3506 |
G | 256.0144 | 340.5412 |
H | -95.52114 | -95.52114 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in December, 1968 | Data last reviewed in December, 1968 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 313. ± 1. | K | AVG | N/A | Average of 12 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 198.06 | K | N/A | Timmermans, 1952 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tfus | 176. | K | N/A | Van de Vloed, 1939 | Uncertainty assigned by TRC = 1.5 K; TRC |
Tfus | 177. | K | N/A | Timmermans, 1935 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 176.65 | K | N/A | Timmermans, 1934 | Uncertainty assigned by TRC = 0.4 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 508. | K | N/A | Garcia-Sanchez, Romero-Martinez, et al., 1989 | Uncertainty assigned by TRC = 0.2 K; mean of 5 determinations, direct observation of meniscus; TRC |
Tc | 510. | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 63.55 | bar | N/A | Garcia-Sanchez, Romero-Martinez, et al., 1989 | Uncertainty assigned by TRC = 0.15 bar; mean of 5 determinations, measurement of P at Tc; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 29. | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 29.03 ± 0.08 | kJ/mol | Review | Manion, 2002 | adopted Majer, Svab, et al., 1980 value plus a correction for non-ideality; DRB |
ΔvapH° | 30.6 ± 0.1 | kJ/mol | C | An and Hu, 1989 | AC |
ΔvapH° | 28.8 | kJ/mol | C | Majer, Sváb, et al., 1980 | AC |
ΔvapH° | 28.5 ± 0.42 | kJ/mol | V | Mathews, 1926 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 27.7 ± 0.96 kJ/mol; ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
28.06 | 313. | N/A | Majer and Svoboda, 1985 | |
30.2 | 248. | N/A | Ganeff and Jungers, 2010 | Based on data from 233. to 313. K.; AC |
29.0 | 326. | A | Stephenson and Malanowski, 1987 | Based on data from 311. to 383. K.; AC |
30.3 | 279. | EB | Boublík and Aim, 1972 | Based on data from 264. to 311. K.; AC |
29.2 | 308. | N/A | Mueller and Ignatowski, 1960 | Based on data from 303. to 313. K.; AC |
29.4 | 186. to 312. | N/A | Perry, 1926 | 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 |
---|---|---|---|---|---|
303.14 to 313.14 | 3.97323 | 1016.865 | -56.623 | Mueller and Ignatowski, 1960, 2 | Coefficents calculated by NIST from author's data. |
233. to 313. | 4.53691 | 1327.016 | -20.474 | Ganeff and Jungers, 1948 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.160 | 178.22 | Moseeva, Rabinovich, et al., 1978 | DH |
6.16 | 178.2 | Domalski and Hearing, 1996 | AC |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
MS - José A. Martinho Simões
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
CHCl2- + =
By formula: CHCl2- + H+ = CH2Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1572. ± 9.2 | kJ/mol | G+TS | Born, Ingemann, et al., 2000 | gas phase; D-EA from this reference yields BDE = 96.0±3.2 kcal/mol; B |
ΔrH° | 1567. ± 13. | kJ/mol | G+TS | Bohme, Lee-Ruff, et al., 1972 | gas phase; Comparable to DMSO; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1540. ± 8.4 | kJ/mol | IMRE | Born, Ingemann, et al., 2000 | gas phase; D-EA from this reference yields BDE = 96.0±3.2 kcal/mol; B |
ΔrG° | 1543.9 ± 2.9 | kJ/mol | IMRE | Poutsma, Paulino, et al., 1997 | gas phase; relative to tBuOH at ΔGacid = 369.3; B |
ΔrG° | 1535. ± 13. | kJ/mol | IMRB | Bohme, Lee-Ruff, et al., 1972 | gas phase; Comparable to DMSO; value altered from reference due to change in acidity scale; B |
By formula: Cl- + CH2Cl2 = (Cl- • CH2Cl2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.1 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
ΔrH° | 61.9 ± 8.4 | kJ/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
ΔrH° | 64.9 ± 1.3 | kJ/mol | TDEq | Dougherty, Dalton, et al., 1974 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92.5 | J/mol*K | N/A | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Kebarle, 1977; M |
ΔrS° | 92.0 | J/mol*K | HPMS | Dougherty, Dalton, et al., 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 38. ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
ΔrG° | 37.0 | kJ/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
ΔrG° | 37.2 ± 2.5 | kJ/mol | TDEq | Dougherty, Dalton, et al., 1974 | gas phase; B |
By formula: CN- + CH2Cl2 = (CN- • CH2Cl2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 68. ± 15. | kJ/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 101. | 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° | 38. ± 9.6 | kJ/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
By formula: C2H5+ + CH2Cl2 = (C2H5+ • CH2Cl2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 151. | kJ/mol | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 189. | J/mol*K | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; Entropy change is questionable; M |
By formula: 2H2 + CH2Cl2 = CH4 + 2HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -163.4 ± 1.3 | kJ/mol | Chyd | Lacher, Amador, et al., 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -167.7 ± 1.3 kJ/mol; At 250 C; ALS |
By formula: CH2Cl3- + 2CH2Cl2 = C2H4Cl5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 54.81 | kJ/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 27.4 | kJ/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: C2H4Cl5- + 3CH2Cl2 = C3H6Cl7-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40.6 | kJ/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 19.4 | kJ/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: C3H6Cl7- + 4CH2Cl2 = C4H8Cl9-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37.7 | kJ/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 15.2 | kJ/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
C4H8Cl9- + 5 = C5H10Cl11-
By formula: C4H8Cl9- + 5CH2Cl2 = C5H10Cl11-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32.2 | kJ/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.0 | kJ/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: C3H7+ + CH2Cl2 = (C3H7+ • CH2Cl2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 65.3 | kJ/mol | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 130. | J/mol*K | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
By formula: C6H11+ + CH2Cl2 = (C6H11+ • CH2Cl2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44.4 | kJ/mol | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 130. | J/mol*K | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
By formula: Li+ + CH2Cl2 = (Li+ • CH2Cl2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 120. | kJ/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 interpolated; M |
By formula: C4H9+ + CH2Cl2 = (C4H9+ • CH2Cl2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40. | kJ/mol | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 93.3 | J/mol*K | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
By formula: C5H11+ + CH2Cl2 = (C5H11+ • CH2Cl2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40. | kJ/mol | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 97.5 | J/mol*K | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
By formula: C5H9+ + CH2Cl2 = (C5H9+ • CH2Cl2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41. | kJ/mol | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84.5 | J/mol*K | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
C14H21MnO2 (solution) + (solution) = C8H7Cl2MnO2 (solution) + (solution)
By formula: C14H21MnO2 (solution) + CH2Cl2 (solution) = C8H7Cl2MnO2 (solution) + C7H16 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -37.7 ± 4.2 | kJ/mol | PAC | Yang and Yang, 1992 | solvent: Heptane; MS |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas Chromatography, 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 | Japan AIST/NIMC Database- Spectrum MS-NW-5526 |
NIST MS number | 228003 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data 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. | 553.5 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 10. | 555.9 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 40. | 553.7 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 50. | 548.4 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 60. | 542.2 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Packed | C78, Branched paraffin | 130. | 506.3 | Dallos, Sisak, et al., 2000 | He; Column length: 3.3 m |
Capillary | OV-1 | 70. | 518. | Annino and Villalobos, 1999 | 22.6 m/0.53 mm/2.78 μm |
Packed | C78, Branched paraffin | 130. | 504.9 | Reddy, Dutoit, et al., 1992 | Chromosorb G HP; Column length: 3.3 m |
Packed | Apolane | 130. | 508. | Dutoit, 1991 | Column length: 3.7 m |
Capillary | OV-1 | 60. | 516.9 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | OV-1 | 75. | 516.5 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | SE-54 | 60. | 537.8 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | SE-54 | 75. | 537.9 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Packed | OV-1 | 100. | 519. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | OV-1 | 125. | 520. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | OV-1 | 75. | 518. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | Squalane | 80. | 486. | Pacáková, Vojtechová, et al., 1988 | N2, Chezasorb AW-HMDS; Column length: 1.2 m |
Packed | SE-30 | 100. | 524. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
Packed | Apolane | 70. | 497.9 | Riedo, Fritz, et al., 1976 | He, Chromosorb; Column length: 2.4 m |
Packed | Squalane | 50. | 477. | Vernon, 1971 | N2 |
Packed | Apiezon L | 130. | 511. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
Packed | Apiezon L | 70. | 513. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-54 | 531. | Rembold, Wallner, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C |
Capillary | OV-101 | 540. | Ohnishi and Shibamoto, 1984 | 2. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C |
Capillary | OV-101 | 540. | Ohnishi and Shibamoto, 1984 | 2. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 510. | Minyard, Tumlinson, et al., 1967 | He, Chromasorb W; Column length: 6.1 m; Program: 150C (10min) => 15C/min => 200C(16min) => 10C/min => 240C |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Carbowax 20M | 70. | 948. | Annino and Villalobos, 1999 | 31.3 m/0.53 mm/0.54 μm |
Capillary | Supelcowax-10 | 60. | 946. | Castello, Vezzani, et al., 1991 | N2; Column length: 60. m; Column diameter: 0.75 mm |
Packed | SP-1000 | 100. | 935.7 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | SP-1000 | 125. | 932.62 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | SP-1000 | 75. | 926.65 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | Carbowax 20M | 75. | 933. | Goebel, 1982 | N2, Kieselgur (60-100 mesh); Column length: 2. m |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CBP-20 | 933. | Shimadzu, 2003 | 25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C |
Capillary | DB-Wax | 914. | Shimoda and Shibamoto, 1990 | He, 40. C @ 6. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 190. C |
Capillary | DB-Wax | 925. | Tatsuka, Suekane, et al., 1990 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 200. C |
Capillary | DB-Wax | 931. | Tatsuka, Suekane, et al., 1990 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 200. C |
Capillary | DB-Wax | 948. | Umano and Shibamoto, 1988 | 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C |
Capillary | DB-Wax | 948. | Umano and Shibamoto, 1988 | 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C |
Capillary | DB-Wax | 905. | Umano, Shoji, et al., 1986 | N2, 60. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 512.7 | Censullo, Jones, et al., 2003 | 50. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min |
Capillary | DB-5 | 531.6 | Xu, van Stee, et al., 2003 | 30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C |
Capillary | DB-1 | 524. | Helmig, Pollock, et al., 1996 | 30. m/0.25 mm/1. μm, 6. K/min; Tstart: -50. C; Tend: 180. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax | 937.2 | Censullo, Jones, et al., 2003 | 60. m/0.25 mm/0.5 μm, He, 50. C @ 10. min, 5. K/min, 250. C @ 10. min |
Capillary | FFAP | 936. | 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 |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 927. | 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 | 933. | 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) |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-1 | 60. | 520. | Shimadzu, 2003, 2 | 60. m/0.32 mm/1. μm, He |
Packed | Synachrom | 150. | 480. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Packed | Squalane | 100. | 488. | Vernon, 1971 | N2 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 531. | 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 | SPB-5 | 531. | Vasta, Ratel, et al., 2007 | 60. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min |
Capillary | SPB-5 | 528. | Pérès, Begnaud, et al., 2002 | 60. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 200. C @ 5. min |
Capillary | BP-1 | 514. | Health Safety Executive, 2000 | 50. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
Capillary | Ultra-2 | 520. | King, Matthews, et al., 1995 | 50. m/0.32 mm/0.52 μm, He, 40. C @ 3. min, 4. K/min, 250. C @ 30. min |
Capillary | DB-1 | 511. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C |
Capillary | SF-96 | 527. | Donetzhuber, Johansson, et al., 1976 | Nitrogen, 3. K/min, 130. C @ 40. min; Column length: 111. m; Column diameter: 0.76 mm; Initial hold: 8. min |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 528. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | HP-5 | 529. | 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 | 515. | Zenkevich, Eliseenkov, et al., 2006 | Program: not specified |
Capillary | Methyl Silicone | 519. | Blunden, Aneja, et al., 2005 | 60. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min) |
Capillary | Methyl Silicone | 515. | Zenkevich, 1998 | Program: not specified |
Capillary | SPB-1 | 515. | 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 | 531. | Sorimachi, Tanabe, et al., 1995 | He; Column length: 30. m; Program: not specified |
Capillary | Methyl Silicone | 515. | Zenkevich, Korolenko, et al., 1995 | Program: not specified |
Capillary | DB-1 | 512. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | SPB-1 | 515. | 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 | 515. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Capillary | DB-1 | 504. | Kawai, Ishida, et al., 1991 | 60. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | DB-1 | 510. | Kawai, Ishida, et al., 1991 | 60. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | Methyl Silicone | 527. | Zenkevich and Kuznetsova, 1990 | Program: not specified |
Capillary | CP Sil 8 CB | 530. | 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 | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 524. | 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. | 524. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1 | 515. | Ramsey and Flanagan, 1982 | Program: not specified |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-Wax | 60. | 953. | 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 | DB-Wax | 944. | Shimadzu, 2012 | 30. m/0.32 mm/0.50 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | DB-Wax | 932. | Rochat, Egger, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min |
Capillary | DB-Wax | 937. | Rochat, Egger, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min |
Capillary | DB-Wax | 944. | Shimadzu Corporation, 2003 | 30. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | DB-Wax | 933. | Fu, Yoon, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 8. K/min, 250. C @ 5. min |
Capillary | DB-Wax | 919. | 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 | 925. | Takeoka, Flath, et al., 1988 | 60. m/0.25 mm/0.25 μm, H2, 30. C @ 2. min, 2. K/min; Tend: 180. C |
Capillary | DB-Wax | 928. | Takeoka, Flath, et al., 1988 | 60. m/0.25 mm/0.25 μm, H2, 30. C @ 2. 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 | 912. | 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 | 927. | 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 | 933. | 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 | Polyethylene Glycol | 914. | Zenkevich, Korolenko, et al., 1995 | Program: not specified |
Capillary | Carbowax 20M | 917. | Ramsey and Flanagan, 1982 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, 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]
Lacher, Amador, et al., 1967
Lacher, J.R.; Amador, A.; Park, J.D.,
Reaction heats of organic compounds. Part 5.-Heats of hydrogenation of dichloromethane, 1,1- and 1,2-dichloroethane and 1,2-dichloropropane,
Trans. Faraday Soc., 1967, 63, 1608-1611. [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]
Timmermans, 1952
Timmermans, J.,
Freezing points of organic compounds. VVI New determinations.,
Bull. Soc. Chim. Belg., 1952, 61, 393. [all data]
Van de Vloed, 1939
Van de Vloed, A.,
Bull. Soc. Chim. Belg., 1939, 48, 229. [all data]
Timmermans, 1935
Timmermans, J.,
Researches in Stoichiometry. I. The Heat of Fusion of Organic Compounds.,
Bull. Soc. Chim. Belg., 1935, 44, 17-40. [all data]
Timmermans, 1934
Timmermans, J.,
Theory of Concentrated Solutions XII.,
Bull. Soc. Chim. Belg., 1934, 43, 626. [all data]
Garcia-Sanchez, Romero-Martinez, et al., 1989
Garcia-Sanchez, F.; Romero-Martinez, A.; Trejo Rodriguez, A.,
Vapour Pressure, Critical Temperature, and Critical Pressure of Dichloro- methane,
J. Chem. Thermodyn., 1989, 21, 823-6. [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, Svab, et al., 1980
Majer, V.; Svab, L.; Svoboda, V.,
Enthalpies of vaporization and cohesive energies for a group of chlorinated hydrocarbons,
J. Chem. Thermodyn., 1980, 12, 9, 843, https://doi.org/10.1016/0021-9614(80)90028-2
. [all data]
An and Hu, 1989
An, Xuwu; Hu, Hui,
Enthalpies of Vaporization of Some Multichloro-Alkanes,
Acta Phys. Chim. Sin., 1989, 5, 5, 565-571, https://doi.org/10.3866/PKU.WHXB19890511
. [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]
Ganeff and Jungers, 2010
Ganeff, Jean M.; Jungers, Joseph C.,
Tensions de vapeur du système CH3Cl «63743» CH2Cl2,
Bull. Soc. Chim. Belges, 2010, 57, 1-3, 82-87, https://doi.org/10.1002/bscb.19480570109
. [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]
Mueller and Ignatowski, 1960
Mueller, Charles R.; Ignatowski, Albert J.,
Equilibrium and Transport Properties of the Carbon Tetrachloride-Methylene Chloride System,
J. Chem. Phys., 1960, 32, 5, 1430, https://doi.org/10.1063/1.1730935
. [all data]
Perry, 1926
Perry, J.H.,
The Vapor Pressures of Methylene Chloride,
J. Phys. Chem., 1926, 31, 11, 1737-1741, https://doi.org/10.1021/j150281a013
. [all data]
Mueller and Ignatowski, 1960, 2
Mueller, C.R.; Ignatowski, A.J.,
Equilibrium and Transport Properties of the Carbon Tetrachloride-Methylene Chloride System,
J. Chem. Phys., 1960, 32, 5, 1430-1434, https://doi.org/10.1063/1.1730935
. [all data]
Ganeff and Jungers, 1948
Ganeff, J.M.; Jungers, J.C.,
Tensions de Vapeur du Systeme CH3Cl - CH2Cl2,
Bull. Soc. Chim. Belg., 1948, 57, 1-3, 82-87, https://doi.org/10.1002/bscb.19480570109
. [all data]
Moseeva, Rabinovich, et al., 1978
Moseeva, E.M.; Rabinovich, I.B.; Busygina, G.I.; Safonov, V.A.; Ovchinnikov, E.Yu.,
Thermodynamic proerties of methylene chloride, Termodin. Org. Soedin.,
Gor'kii, 1978, 1, 8-11. [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]
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]
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]
Poutsma, Paulino, et al., 1997
Poutsma, J.C.; Paulino, J.A.; Squires, R.R.,
Absolute Heats of Formation of CHCl, CHF, and CClF. A Gas-Phase Experimental and G2 Theoretical Study.,
J. Phys. Chem. A, 1997, 101, 29, 5327, https://doi.org/10.1021/jp970778f
. [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]
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]
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]
Kebarle, 1977
Kebarle, P.,
Ion Thermochemistry and Solvation from Gas Phase Ion Equilibria,
Ann. Rev. Phys. Chem., 1977, 28, 1, 445, https://doi.org/10.1146/annurev.pc.28.100177.002305
. [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]
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]
Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L.,
Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases,
J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050
. [all data]
Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P.,
Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n,
J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013
. [all data]
Yang and Yang, 1992
Yang, P.-F.; Yang, K.G.,
J. Am. Chem. Soc., 1992, 114, 6937. [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]
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]
Guan, Kiraly, et al., 1989
Guan, Y.; Kiraly, J.; Rijks, J.A.,
Interactive retention index database for compound identification in temperature-programmed capillary gas chromatography,
J. Chromatogr., 1989, 472, 129-143, https://doi.org/10.1016/S0021-9673(00)94101-3
. [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]
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]
Vernon, 1971
Vernon, F.,
An investigation into hydrogen bonding in gas-liquid chromatography,
J. Chromatogr., 1971, 63, 249-257, https://doi.org/10.1016/S0021-9673(01)85637-5
. [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]
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]
Ohnishi and Shibamoto, 1984
Ohnishi, S.; Shibamoto, T.,
Volatile compounds from heated beef fat and beef fat with glycine,
J. Agric. Food Chem., 1984, 32, 5, 987-992, https://doi.org/10.1021/jf00125a008
. [all data]
Minyard, Tumlinson, et al., 1967
Minyard, J.P.; Tumlinson, J.H.; Thompson, A.C.; Hedin, P.A.,
Constituents of the cotton bud. The carbonyl compounds,
J. Agric. Food Chem., 1967, 15, 3, 517-524, https://doi.org/10.1021/jf60151a021
. [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]
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]
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]
Shimoda and Shibamoto, 1990
Shimoda, M.; Shibamoto, T.,
Isolation and identification of headspace volatiles from brewed coffee with an on-column GC/MS method,
J. Agric. Food Chem., 1990, 38, 3, 802-804, https://doi.org/10.1021/jf00093a045
. [all data]
Tatsuka, Suekane, et al., 1990
Tatsuka, K.; Suekane, S.; Sakai, Y.; Sumitani, H.,
Volatile constituents of kiwi fruit flowers: simultaneous distillation and extraction versus headspace sampling,
J. Agric. Food Chem., 1990, 38, 12, 2176-2180, https://doi.org/10.1021/jf00102a015
. [all data]
Umano and Shibamoto, 1988
Umano, K.; Shibamoto, T.,
A new method of headspace sampling: grapefruit volatiles
in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 981-998. [all data]
Umano, Shoji, et al., 1986
Umano, K.; Shoji, A.; Hagi, Y.; Shibamoto, T.,
Volatile constituents of peel of quince fruit, Cydonia oblonga Miller,
J. Agric. Food Chem., 1986, 34, 4, 593-596, https://doi.org/10.1021/jf00070a003
. [all data]
Censullo, Jones, et al., 2003
Censullo, A.C.; Jones, D.R.; Wills, M.T.,
Speciation of the volatile organic compounds (VOCs) in solventborne aerosol coatings by solid phase microextraction-gas chromatography,
J. Coat. Technol., 2003, 75, 936, 47-53, https://doi.org/10.1007/BF02697922
. [all data]
Xu, van Stee, et al., 2003
Xu, X.; van Stee, L.L.P.; Williams, J.; Beens, J.; Adahchour, M.; Vreuls, R.J.J.; Brinkman, U.A.Th.; Lelieveld, J.,
Comprehensive two-dimensional gas chromatography (GC×GC) measurements of volatile organic compounds in the atmosphere,
Atmos. Chem. Phys., 2003, 3, 3, 665-682, https://doi.org/10.5194/acp-3-665-2003
. [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]
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]
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]
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]
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]
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]
Pérès, Begnaud, et al., 2002
Pérès, C.; Begnaud, F.; Berdagué, J.-L.,
Fast characterization of Camembert cheeses by static headspace-mass spectrometry,
Sens. Actuators, 2002, 87, 3, 491-497, https://doi.org/10.1016/S0925-4005(02)00298-8
. [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]
King, Matthews, et al., 1995
King, M.-F.; Matthews, M.A.; Rule, D.C.; Field, R.A.,
Effect of beef packaging method on volatile compounds developed by oven roasting or microwave cooking,
J. Agric. Food Chem., 1995, 43, 3, 773-778, https://doi.org/10.1021/jf00051a039
. [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]
Donetzhuber, Johansson, et al., 1976
Donetzhuber, A.; Johansson, K.; Sandstroem, C.,
Gas phase characterization of wood, pulp, and paper,
Appl. Polymer Symp., 1976, 28, 889-901. [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]
Blunden, Aneja, et al., 2005
Blunden, J.; Aneja, V.P.; Lonneman, W.A.,
Characterization of non-methane volatile organic compounds at swine facilities in eastern North Carolina,
Atm. Environ., 2005, 39, 36, 6707-6718, https://doi.org/10.1016/j.atmosenv.2005.03.053
. [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]
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]
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]
Kawai, Ishida, et al., 1991
Kawai, T.; Ishida, Y.; Kakiuchi, H.; Ikeda, N.; Higashida, T.; Nakamura, S.,
Flavor components of dried squid,
J. Agric. Food Chem., 1991, 39, 4, 770-777, https://doi.org/10.1021/jf00004a031
. [all data]
Zenkevich and Kuznetsova, 1990
Zenkevich, I.G.; Kuznetsova, L.M.,
Logic Criteria on Prediction of Gas Chromatographic Retention Indices from Physico-Chemical Properties of Organic Compounds,
Dokl. Akad. Nauk SSSR, 1990, 315, 4, 881-885. [all data]
Weller and Wolf, 1989
Weller, J.-P.; Wolf, M.,
Massenspektroskopie und Headspace-GC,
Beitr. Gerichtl. Med., 1989, 47, 525-532. [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]
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]
Rochat, Egger, et al., 2009
Rochat, S.; Egger, J.; Chaintreau, A.,
Strategy for the identification of key odorants: application to shrimp aroma,
J. Chromatogr. A, 2009, 1216, 36, 6424-6432, https://doi.org/10.1016/j.chroma.2009.07.014
. [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]
Fu, Yoon, et al., 2002
Fu, S.-G.; Yoon, Y.; Basemore, R.,
Aroma-actie components in fermented bamboo shoots,
J. Agric. Food Chem., 2002, 50, 3, 549-554, https://doi.org/10.1021/jf010883t
. [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]
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]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
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 ΔfH°gas Enthalpy of formation of gas 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 - 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.