Ethane, 1,2-dichloro-
- Formula: C2H4Cl2
- Molecular weight: 98.959
- IUPAC Standard InChIKey: WSLDOOZREJYCGB-UHFFFAOYSA-N
- CAS Registry Number: 107-06-2
- 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. - Other names: α,β-Dichloroethane; s-Dichloroethane; Brocide; Dutch liquid; Ethylene chloride; Ethylene dichloride; Freon 150; Glycol dichloride; 1,2-Bichloroethane; 1,2-Dichlorethane; 1,2-Dichloroethane; CH2ClCH2Cl; sym-Dichloroethane; Aethylenchlorid; Bichlorure D'ethylene; Borer sol; Chlorure D'ethylene; Cloruro di ethene; 1,2-DCE; Destruxol borer-sol; 1,2-Dichloorethaan; 1,2-Dichlor-aethan; Dichloremulsion; Di-chlor-mulsion; Dichloro-1,2-ethane; 1,2-Dicloroetano; Dutch oil; EDC; ENT 1,656; Ethane dichloride; Ethyleendichloride; 1,2-Ethylene dichloride; NCI-C00511; Rcra waste number U077; UN 1184; DCE; EDC (halocarbon); HCC 150; 1,2-dichloroethane (ethylene dichloride)
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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, 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 | -132. ± 3.5 | kJ/mol | Review | Manion, 2002 | derived from recommended ΔfHliquid° and ΔvapH°; DRB |
ΔfH°gas | -125.4 ± 1.0 | kJ/mol | Chyd | Lacher, Amador, et al., 1967 | Reanalyzed by Cox and Pilcher, 1970, Original value = -126.3 ± 1.0 kJ/mol; At 250 C; ALS |
ΔfH°gas | -129. | kJ/mol | Cm | Kirkbride, 1956 | Heat of chlorination; ALS |
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, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -167.2 ± 3.5 | kJ/mol | Review | Manion, 2002 | weighted average of several measurements; DRB |
ΔfH°liquid | -169.7 | kJ/mol | Ccr | Hu and Sinke, 1969 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1236.4 | kJ/mol | Ccr | Hu and Sinke, 1969 | ALS |
ΔcH°liquid | -1246.4 ± 8.4 | kJ/mol | Ccb | Smith, Bjellerup, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1244. ± 8. kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 208.53 | J/mol*K | N/A | Pitzer, 1940 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
129.4 | 298.15 | Hallen, 1993 | DH |
128.81 | 298.15 | Lainez, Roux-Desgranges, et al., 1985 | DH |
128.99 | 298.15 | Wilhelm, Faradjzadeh, et al., 1979 | DH |
129.0 | 298.15 | Wilhelm, Grolier, et al., 1979 | DH |
128.99 | 298.15 | Wilhelm, Grolier, et al., 1977 | DH |
128.6 | 298.15 | Wilhelm, Schano, et al., 1969 | T = 20, 30 40°C.; DH |
129.2 | 293. | Rastorguev and Ganiev, 1967 | T = 293 to 353 K.; DH |
129.54 | 298.15 | Ruiter, 1955 | T = 7 to 50°C.; DH |
129.70 | 298. | Staveley, Tupman, et al., 1955 | T = 284 to 348 K.; DH |
124.3 | 293. | Sieg, Crtzen, et al., 1951 | DH |
123.0 | 298. | Kurbatov, 1948 | T = -25 to 86°C, mean Cp, four temperatures.; DH |
128.9 | 298.15 | Pitzer, 1940 | T = 15 to 308 K.; DH |
131.0 | 300. | Railing, 1939 | T = 90 to 320 K. Data graphically only. Value read from graph.; DH |
122.2 | 298. | von Reis, 1881 | T = 290 to 364 K.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, 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
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 356.7 ± 0.6 | K | AVG | N/A | Average of 48 out of 52 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 230. ± 40. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 237.6 | K | N/A | Knauth and Sabbah, 1990 | Uncertainty assigned by TRC = 0.3 K; TRC |
Ttriple | 237.2 | K | N/A | Pitzer, 1940, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 561.6 | K | N/A | Garcia-Sanchez and Trejo Rodriguez, 1985 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tc | 561.2 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 563.15 | K | N/A | Hojendahl, 1946 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 53.80 | bar | N/A | Garcia-Sanchez and Trejo Rodriguez, 1985 | Uncertainty assigned by TRC = 0.50 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 4.45 | mol/l | N/A | Hojendahl, 1946 | Uncertainty assigned by TRC = 0.15 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 35.1 ± 0.6 | kJ/mol | AVG | N/A | Average of 8 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
31.98 | 356.6 | N/A | Majer and Svoboda, 1985 | |
31.1 | 371. | A | Stephenson and Malanowski, 1987 | Based on data from 356. to 558. K.; AC |
34.8 | 294. | A | Stephenson and Malanowski, 1987 | Based on data from 279. to 374. K.; AC |
31.1 | 383. | A | Stephenson and Malanowski, 1987 | Based on data from 368. to 524. K.; AC |
40.8 | 538. | A | Stephenson and Malanowski, 1987 | Based on data from 523. to 561. K.; AC |
34.8 | 294. | N/A | Stephenson and Malanowski, 1987 | Based on data from 279. to 434. K. See also Dykyj, 1970.; AC |
34.7 | 316. | N/A | Gutsche and Knapp, 1982 | Based on data from 301. to 357. K.; AC |
33.91 | 273. | V | Gallaugher and Hibbert, 1937 | ALS |
37.5 | 258. | N/A | Pearce and Peters, 1928 | Based on data from 243. to 372. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
242.33 to 372.6 | 4.58518 | 1521.789 | -24.67 | Pearce and Peters, 1929 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.8366 | 237.2 | Pitzer, 1940 | DH |
8.83 | 237.2 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
37.25 | 237.2 | Pitzer, 1940 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
16.2 | 237.2 | Domalski and Hearing, 1996 | CAL |
36.8 | 175. |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
2.845 | 175. | crystaline, II | Railing, 1939 | DH | |
8.745 | 237.6 | crystaline, I | liquid | Railing, 1939 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
16.2 | 175. | crystaline, II, Lambda | , type transition | Railing, 1939 | DH |
36.8 | 237.6 | crystaline, I | liquid | Railing, 1939 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: C2H4Cl2 = C2H3Cl + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.6 ± 4.2 | kJ/mol | Cm | Buravtsev, Grigor'ev, et al., 1992 | gas phase |
ΔrH° | 82.0 | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | liquid phase |
ΔrH° | 68.2 | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase |
ΔrH° | 67.95 | kJ/mol | Eqk | Ghosh and Guha, 1951 | liquid phase |
By formula: C2H4Cl2 + 2H2 = C2H6 + 2HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -143.0 ± 0.96 | kJ/mol | Chyd | Lacher, Amador, et al., 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -147.77 ± 0.50 kJ/mol; At 250 C |
By formula: C2H4Cl2 + Cl2 = HCl + C2H3Cl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -116. | kJ/mol | Cm | Kirkbride, 1956 | liquid phase; Heat of chlorination |
By formula: C2H4Cl2 = C2H4Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -9.6 ± 1.4 | kJ/mol | Eqk | Rozhnov, 1968 | gas phase; Heat of isomerization at 385 K |
By formula: C2H4 + Cl2 = C2H4Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -182.6 ± 0.63 | kJ/mol | Cm | Conn, Kistiakowsky, et al., 1938 | gas phase; At 355 °K |
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, 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 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 |
---|---|---|---|---|
0.72 | 4200. | L | N/A | |
0.95 | 4300. | M | N/A | |
0.83 | M | N/A | ||
0.82 | 3800. | X | N/A | |
0.87 | 3900. | M | N/A | |
0.85 | 3900. | X | N/A | |
0.84 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.64 | 4500. | X | N/A | |
0.69 | 4700. | X | N/A | |
0.64 | 1500. | X | N/A | |
0.86 | 3700. | X | Barr and Newsham, 1987 | |
0.90 | 2400. | X | N/A | |
0.84 | 3500. | X | Leighton and Calo, 1981 | |
0.92 | L | N/A | ||
0.81 | V | N/A | ||
1.0 | C | N/A | ||
0.76 | V | N/A | ||
1.1 | M | Pearson and McConnell, 1975 | The same data was also published in missing citation. Value at T = 293. K. | |
0.83 | 4100. | 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, 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 evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 11.07 ± 0.04 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.05 | PI | Berman, Anicich, et al., 1979 | LLK |
11.04 | PE | Berman, Anicich, et al., 1979 | LLK |
11.12 ± 0.05 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
11.40 ± 0.10 | PE | Gan, Peel, et al., 1977 | Vertical value; Trans conformer; LLK |
11.22 ± 0.02 | PE | Chau and McDowell, 1975 | Vertical value; LLK |
11.39 ± 0.03 | PE | Raymonda, Edwards, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH2Cl+ | 12.5 ± 0.1 | CH2Cl | EI | Harrison and Shannon, 1962 | RDSH |
C2H3Cl+ | 11.1 | ? | PI | Berman, Anicich, et al., 1979 | LLK |
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, 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
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 114952 |
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, 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. | 645.4 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 10. | 648.2 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 20. | 656.2 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 30. | 654. | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 40. | 650.1 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 50. | 647.7 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 60. | 644.8 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | OV-1 | 70. | 632. | Annino and Villalobos, 1999 | 22.6 m/0.53 mm/2.78 μm |
Capillary | DB-1 | 60. | 630. | Dewulf, Van Langenhove, et al., 1997 | 30. m/0.53 mm/5.0 μm, He |
Capillary | OV-1 | 50. | 632. | Villalobos, 1995 | 30. m/0.32 mm/0.96 μm |
Packed | OV-1 | 100. | 638. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | OV-1 | 125. | 641. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | OV-1 | 75. | 633. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | SE-30 | 150. | 645. | Tiess, 1984 | Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m |
Packed | SE-30 | 100. | 640. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CBP-1 | 629. | Shimadzu, 2003 | 25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C |
Capillary | SE-54 | 641. | 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. | 1085. | Annino and Villalobos, 1999 | 31.3 m/0.53 mm/0.54 μm |
Capillary | Carbowax 20M | 50. | 1090. | Villalobos, 1995 | 30. m/0.32 mm/0.54 μm, He |
Capillary | Supelcowax-10 | 60. | 1080. | Castello, Vezzani, et al., 1991 | N2; Column length: 60. m; Column diameter: 0.75 mm |
Packed | SP-1000 | 100. | 1084.2 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | SP-1000 | 125. | 1084.96 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | SP-1000 | 75. | 1077.64 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | Carbowax 20M | 75. | 1076. | 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 | 1072. | 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 | Petrocol DH | 620. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | SE-54 | 641. | Weber, 1986 | 25. m/0.31 mm/0.17 μm, H2, 2. K/min; Tstart: 35. C |
Capillary | SE-54 | 643. | Weber, 1986 | 25. m/0.31 mm/0.17 μm, H2, 2. K/min; Tstart: 35. C |
Capillary | SE-54 | 648. | Weber, 1986 | 25. m/0.31 mm/0.17 μm, H2, 2. K/min; Tstart: 35. C |
Packed | OV-101 | 660.0 | Zilka and Matucha, 1978 | Ar, Supelcoport, 8. K/min; Column length: 2. m; Tstart: 40. C |
Packed | SE-30 | 628.6 | Zilka and Matucha, 1978 | Ar, Chromaton N-AW-DMCS, 8. K/min; Column length: 2. m; Tstart: 40. C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Methyl Silicone | 60. | 606. | Cao and Zhang, 2006 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Methyl Silicone | 70. | 607. | Cao and Zhang, 2006 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Methyl Silicone | 80. | 610. | Cao and Zhang, 2006 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | DB-1 | 60. | 632. | Shimadzu, 2003, 2 | 60. m/0.32 mm/1. μm, He |
Packed | Synachrom | 150. | 586. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Packed | Synachrom | 150. | 595. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 621. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | BP-1 | 627. | Health Safety Executive, 2000 | 50. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxanes | 632. | Zenkevich, Eliseenkov, et al., 2006 | Program: not specified |
Capillary | Polydimethyl siloxanes | 632. | Zenkevich, 2003 | Program: not specified |
Capillary | Methyl Silicone | 632. | Zenkevich, 2001 | Program: not specified |
Capillary | Methyl Silicone | 633. | Zenkevich, 1998 | Program: not specified |
Capillary | SPB-1 | 630. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | Polydimethyl siloxanes | 632. | Zenkevich, Chupalov, et al., 1996 | Program: not specified |
Capillary | Polydimethyl siloxanes | 632. | Zenkevich and Chupalov, 1996 | Program: not specified |
Capillary | DB-5 | 673. | Sorimachi, Tanabe, et al., 1995 | He; Column length: 30. m; Program: not specified |
Capillary | SPB-1 | 630. | 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 | 631. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Capillary | CP Sil 8 CB | 649. | 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. | 632. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1 | 631. | Ramsey and Flanagan, 1982 | Program: not specified |
Capillary | SE-30 | 623. | Heydanek and McGorrin, 1981 | He; Column length: 50. m; Column diameter: 0.5 mm; Program: -10C (8min) => 12C/min => 26C => 3C/min => 170C (30min) |
Packed | Apiezon L | 649.3 | Keiko, Prokop'ev, et al., 1972 | Program: not specified |
Packed | Squalane | 635.5 | Keiko, Prokop'ev, et al., 1972 | Program: not specified |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-Wax | 60. | 1093. | 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 | 1088. | Shimadzu, 2012 | 30. m/0.32 mm/0.50 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | DB-Wax | 1088. | Shimadzu Corporation, 2003 | 30. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 260. C |
Packed | Carbowax 20M-TPA | 1065. | Szymanowski, Kusz, et al., 1990 | Chromosorb W AW DMCS, 100. C @ 1. min, 5. K/min; Column length: 1.6 m; Tend: 220. C |
Packed | Carbowax 20M-TPA | 1065. | Szymanowski, Kusz, et al., 1989 | Ar, Chromosorb W AW DMCS, 100. C @ 1. min, 5. K/min; Column length: 1.6 m; Tend: 220. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Superox 0.6; Carbowax 20M | 1045. | 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. | 1045. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 20M | 1051. | 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, 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.
Manion, 2002
Manion, J.A.,
Evaluated Enthalpies of Formation of the Stable Closed Shell C1 and C2 Chlorinated Hydrocarbons,
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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,
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Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
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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]
Hu and Sinke, 1969
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]
Pitzer, 1940
Pitzer, K.S.,
The heat capacities, heats of transition and fusion, and entropies of ethylene dichloride and ethylene dibromide,
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Hallen, 1993
Hallen, D.,
Enthalpies of solution and heat capacities for some a,w-dichloroalkanes in water,
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Lainez, Roux-Desgranges, et al., 1985
Lainez, A.; Roux-Desgranges, G.; Grolier, J.-P.E.; Wilhelm, E.,
Mixtures of alkanes with polar molecules showing integral rotation: an unusual composition dependence of CpE of 1,2-dichloroethane + an n-alkane,
Fluid Phase Equilib., 1985, 20, 47-56. [all data]
Wilhelm, Faradjzadeh, et al., 1979
Wilhelm, E.; Faradjzadeh, A.; Grolier, J.-P.E.,
Molar excess heat capacities and excess volumes of 1,2-dichloroethane + cyclooctane, + mesitylene, and + tetrachloromethane,
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Wilhelm, Grolier, et al., 1979
Wilhelm, E.; Grolier, G.-P.E.; Karbalai Ghassemi, M.H.,
Molar heat capacity of binary liquid mixtures: 1,2-dichloroethane + cyclohexane and 1,2-dichloroethane + methylcyclohexane,
Thermochim. Acta, 1979, 28, 59-69. [all data]
Wilhelm, Grolier, et al., 1977
Wilhelm, E.; Grolier, J.-P.E.; Karbalai Ghassemi, M.H.,
Molar heat capacities of binary liquid mixtures: 1,2-dichloroethane + benzene, + toluene, and + p-xylene,
Ber. Bunsenges. Phys. Chem., 1977, 81, 925-930. [all data]
Wilhelm, Schano, et al., 1969
Wilhelm, E.; Schano, R.; Becker, G.; Findenegg, G.H.; Kohler, F.,
Molar heat capacity at constant volume. Binary mixtures of 1,2-dichloroethane and 1,2-dibromoethane with cyclohexane,
Trans. Faraday Soc., 1969, 65, 1443-1455. [all data]
Rastorguev and Ganiev, 1967
Rastorguev, Yu.L.; Ganiev, Yu.A.,
Study of the heat capacity of selected solvents,
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Ruiter, 1955
Ruiter, L.H.,
Some thermodynamic properties of the system benzene 1,2-dichloroethane. Part II. The excess molar heat capacities,
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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,
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Sieg, Crtzen, et al., 1951
Sieg, L.; Crtzen, J.L.; Jost, W.,
Zur Thermodynamik von Mischphasen IX. Über das Verdampfungsgleichgewicht Benzol-1-2-Dichloraethan,
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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,
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Railing, 1939
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The specific heat of some ethylene halides,
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von Reis, M.A.,
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Hojendahl, 1946
Hojendahl, K.,
Dielectric Constant, Viscosity, Surface Tension, and Critical Data of Boron Tribromide, Dioxane, and Ethylene Dichloride,
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Dykyj, 1970
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Gutsche and Knapp, 1982
Gutsche, Bernhard; Knapp, Helmut,
Isothermal measurements of vapor-liquid equilibria for three n-alkane-chloroalkane mixtures,
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Gallaugher and Hibbert, 1937
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Studies on reactions relating to carbohydrates and polysaccharides. LV. Vapor pressures of the polyethylene glycols and their derivatives,
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Pearce and Peters, 1928
Pearce, J.N.; Peters, P.E.,
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Pearce and Peters, 1929
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Dehydrochlorination of chloroalkanes under rigid homogeneous conditions. II. Effect of small additions of oxygen to the kinetics of high-temperature decomposition of 1,2-dichloroethane under adiabatic compression,
Khim. Fiz., 1992, 11, 218-226. [all data]
Levanova, Bushneva, et al., 1979
Levanova, s.V.; Bushneva, I.I.; Rodova, R.M.; Rozhnov, A.M.; Treger, Yu.A.; Aprelkin, A.S.,
Thermodynamic stability of chloroethanes in dehydrochlorination reactions,
J. Appl. Chem. USSR, 1979, 52, 1439-1442. [all data]
Ghosh and Guha, 1951
Ghosh, J.C.; Guha, S.R.D.,
Catalytic dehydrochlorination of ethylene dichloride,
Petroleum (London), 1951, 14, 261-264. [all data]
Rozhnov, 1968
Rozhnov, A.M.,
Equilibrium of dichloroethane isomerization,
Neftekhimiya, 1968, 8, 431-434. [all data]
Conn, Kistiakowsky, et al., 1938
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A.,
Heats of organic reactions. VII. Addition of halogens to olefins,
J. Am. Chem. Soc., 1938, 60, 2764-2771. [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]
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]
Berman, Anicich, et al., 1979
Berman, D.W.; Anicich, V.; Beauchamp, J.L.,
Stabilities of isomeric halonium ions C2H4X+ (X = Cl, Br) by photoionization mass spectrometry iand on cyclotron resonance spectroscopy. General considerations of the relative stabilities of cyclic and acyclic isomeric onium ions,
J. Am. Chem. Soc., 1979, 101, 1239. [all data]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]
Gan, Peel, et al., 1977
Gan, T.H.; Peel, J.B.; Willett, G.D.,
Photoelectron spectra of the gauche and trans conformers of 1,2-dichloroethane,
J. Chem. Soc. Faraday Trans. 2, 1977, 73, 965. [all data]
Chau and McDowell, 1975
Chau, F.T.; McDowell, C.A.,
Photoelectron spectra of 1,2 dichloro-, 1,2 dibromo- and 1,2 diiodo-ethane,
J. Electron Spectrosc. Relat. Phenom., 1975, 6, 365. [all data]
Raymonda, Edwards, et al., 1974
Raymonda, J.W.; Edwards, L.O.; Russell, B.R.,
Vacuum ultraviolet absorption spectra of some chloroalkanes,
J. Am. Chem. Soc., 1974, 96, 1708. [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]
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,
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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,
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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,
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Villalobos, 1995
Villalobos, R.,
A window diagram for key component analysis in on-line gas chromatography,
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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,
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Tiess, 1984
Tiess, D.,
Gaschromatographische Retentionsindices von 125 leicht- bis mittelflüchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30,
Wiss. Z. Wilhelm-Pieck-Univ. Rostock Math. Naturwiss. Reihe, 1984, 33, 6-9. [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]
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]
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
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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
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Goebel, 1982
Goebel, K.-J.,
Gaschromatographische Identifizierung Niedrig Siedender Substanzen Mittels Retentionsindices und Rechnerhilfe,
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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,
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Weber, 1986
Weber, L.,
Utilization of the Sadtler standard RI system in micropollution analyses,
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Zilka and Matucha, 1978
Zilka, L.; Matucha, M.,
Gas chromatographic analysis of chlorinated ethanes,
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Cao and Zhang, 2006
Cao, J.; Zhang, H.,
Inquire into qualitative analysis of epoxyalkyl isomeride,
Contemporary Chem. Ind. (Chinese), 2006, 35, 5, 374-377. [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]
Supelco, 2012
Supelco, CatalogNo. 24160-U,
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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
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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, 2003
Zenkevich, I.G.,
Criteria for Evaluation of Elution Order of Isomeric Organic Compounds,
Zh. Phys. Khim. (Rus.), 2003, 77, 1, 92-98. [all data]
Zenkevich, 2001
Zenkevich, I.G.,
Interpretation of Gas Chromatographic Retention Indices in estimation of Structures of Isomeric Products of Radical Chlorinating of Alkyl Arenes,
Zh. Org. Khim., 2001, 37, 2, 283-293. [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,
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Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D.,
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Zenkevich, Chupalov, et al., 1996
Zenkevich, I.G.; Chupalov, A.A.; Herzschuh, R.,
Correlation of the Increments of Gas Chromatographic Retention Indices with the Differences of Innermolecular Energies of Reagents and Products of Chemical Reactions,
Zh. Org. Khim. (Rus.), 1996, 32, 11, 1685-1691. [all data]
Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A.,
New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments,
Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [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]
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,
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Weller, J.-P.; Wolf, M.,
Massenspektroskopie und Headspace-GC,
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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,
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Heydanek and McGorrin, 1981
Heydanek, M.G.; McGorrin, R.J.,
Gas chromatography-mass spectroscopy investigations on the flavor chemistry of oat groats,
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Keiko, Prokop'ev, et al., 1972
Keiko, V.V.; Prokop'ev, B.V.; Kuz'menko, L.P.; Kalinina, N.A.; Modonov, V.B.,
The use of an additive scheme of calculation of the indices of retention in gas-liquid chromatography communication. 3. Some regularities in the manifestation of the inductive effect,
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Shimadzu, 2012
Shimadzu, Pharmaceutical Related,
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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]
Szymanowski, Kusz, et al., 1990
Szymanowski, J.; Kusz, P.; Dziwinski, E.,
Degradation and analysis of commercial polyoxyethylene glycol mono(4-alkylphenyl) ethers,
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Szymanowski, Kusz, et al., 1989
Szymanowski, J.; Kusz, P.; Dziwinski, E.; Szewczyk, H.; Pyzalski, K.,
Degradation and Analysis of Polyoxyethylene Monoalkyl Ethers in the Presence of Acetyl Chloride and Ferric Chloride,
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. [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, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy Pc Critical pressure S°liquid Entropy of liquid at standard conditions 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 ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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