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Ethane, 1,2-dichloro-

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Gas phase thermochemistry data

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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
Deltafgas-132. ± 3.5kJ/molReviewManion, 2002derived from recommended «DELTA»fHliquid° and «DELTA»vapH°; DRB
Deltafgas-125.4 ± 1.0kJ/molChydLacher, Amador, et al., 1967Reanalyzed by Cox and Pilcher, 1970, Original value = -126.3 ± 1.0 kJ/mol; At 250 C; ALS
Deltafgas-129.kJ/molCmKirkbride, 1956Heat of chlorination; ALS

Condensed phase thermochemistry data

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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
Deltafliquid-167.2 ± 3.5kJ/molReviewManion, 2002weighted average of several measurements; DRB
Deltafliquid-169.7kJ/molCcrHu and Sinke, 1969ALS
Quantity Value Units Method Reference Comment
Deltacliquid-1236.4kJ/molCcrHu and Sinke, 1969ALS
Deltacliquid-1246.4 ± 8.4kJ/molCcbSmith, Bjellerup, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = -1244. ± 8. kJ/mol; ALS
Quantity Value Units Method Reference Comment
liquid208.53J/mol*KN/APitzer, 1940DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
129.4298.15Hallen, 1993DH
128.81298.15Lainez, Roux-Desgranges, et al., 1985DH
128.99298.15Wilhelm, Faradjzadeh, et al., 1979DH
129.0298.15Wilhelm, Grolier, et al., 1979DH
128.99298.15Wilhelm, Grolier, et al., 1977DH
128.6298.15Wilhelm, Schano, et al., 1969T = 20, 30 40°C.; DH
129.2293.Rastorguev and Ganiev, 1967T = 293 to 353 K.; DH
129.54298.15Ruiter, 1955T = 7 to 50°C.; DH
129.70298.Staveley, Tupman, et al., 1955T = 284 to 348 K.; DH
124.3293.Sieg, Crtzen, et al., 1951DH
123.0298.Kurbatov, 1948T = -25 to 86°C, mean Cp, four temperatures.; DH
128.9298.15Pitzer, 1940T = 15 to 308 K.; DH
131.0300.Railing, 1939T = 90 to 320 K. Data graphically only. Value read from graph.; DH
122.2298.von Reis, 1881T = 290 to 364 K.; DH

Phase change data

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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, Kenneth Kroenlein 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
Tboil356.7 ± 0.5KAVGN/AAverage of 49 out of 53 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus230. ± 40.KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple237.6KN/AKnauth and Sabbah, 1990Uncertainty assigned by TRC = 0.3 K; TRC
Ttriple237.2KN/APitzer, 1940, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc561.6KN/AGarcia-Sanchez and Trejo Rodriguez, 1985Uncertainty assigned by TRC = 0.4 K; TRC
Tc561.2KN/AMajer and Svoboda, 1985 
Tc563.15KN/AHojendahl, 1946Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Pc53.80barN/AGarcia-Sanchez and Trejo Rodriguez, 1985Uncertainty assigned by TRC = 0.50 bar; TRC
Quantity Value Units Method Reference Comment
rhoc4.45mol/lN/AHojendahl, 1946Uncertainty assigned by TRC = 0.15 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap35.1 ± 0.6kJ/molAVGN/AAverage of 8 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
31.98356.6N/AMajer and Svoboda, 1985 
31.1371.AStephenson and Malanowski, 1987Based on data from 356. - 558. K.; AC
34.8294.AStephenson and Malanowski, 1987Based on data from 279. - 374. K.; AC
31.1383.AStephenson and Malanowski, 1987Based on data from 368. - 524. K.; AC
40.8538.AStephenson and Malanowski, 1987Based on data from 523. - 561. K.; AC
34.8294.N/AStephenson and Malanowski, 1987Based on data from 279. - 434. K. See also Dykyj, 1970.; AC
34.7316.N/AGutsche and Knapp, 1982Based on data from 301. - 357. K.; AC
33.91273.VGallaugher and Hibbert, 1937ALS
37.5258.N/APearce and Peters, 1928Based on data from 243. - 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 - 372.64.585181521.789-24.67Pearce and Peters, 1929Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
8.8366237.2Pitzer, 1940DH
8.83237.2Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
37.25237.2Pitzer, 1940DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
16.2237.2Domalski and Hearing, 1996CAL
36.8175.

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
2.845175.crystaline, II Railing, 1939DH
8.745237.6crystaline, IliquidRailing, 1939DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
16.2175.crystaline, II, Lambda, type transitionRailing, 1939DH
36.8237.6crystaline, IliquidRailing, 1939DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

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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

Ethane, 1,2-dichloro- = Ethene, chloro- + Hydrogen chloride

By formula: C2H4Cl2 = C2H3Cl + HCl

Quantity Value Units Method Reference Comment
Deltar50.6 ± 4.2kJ/molCmBuravtsev, Grigor'ev, et al., 1992gas phase
Deltar82.0kJ/molEqkLevanova, Bushneva, et al., 1979liquid phase
Deltar68.2kJ/molEqkLevanova, Bushneva, et al., 1979gas phase
Deltar67.95kJ/molEqkGhosh and Guha, 1951liquid phase

Ethane, 1,2-dichloro- + 2Hydrogen = Ethane + 2Hydrogen chloride

By formula: C2H4Cl2 + 2H2 = C2H6 + 2HCl

Quantity Value Units Method Reference Comment
Deltar-143.0 ± 0.96kJ/molChydLacher, Amador, et al., 1967gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -147.77 ± 0.50 kJ/mol; At 250 C

Ethane, 1,2-dichloro- + Chlorine = Hydrogen chloride + Ethane, 1,1,2-trichloro-

By formula: C2H4Cl2 + Cl2 = HCl + C2H3Cl3

Quantity Value Units Method Reference Comment
Deltar-116.kJ/molCmKirkbride, 1956liquid phase; Heat of chlorination

Ethane, 1,1-dichloro- = Ethane, 1,2-dichloro-

By formula: C2H4Cl2 = C2H4Cl2

Quantity Value Units Method Reference Comment
Deltar-9.6 ± 1.4kJ/molEqkRozhnov, 1968gas phase; Heat of isomerization at 385 K

Ethylene + Chlorine = Ethane, 1,2-dichloro-

By formula: C2H4 + Cl2 = C2H4Cl2

Quantity Value Units Method Reference Comment
Deltar-182.6 ± 0.63kJ/molCmConn, Kistiakowsky, et al., 1938gas phase; At 355 °K

Henry's Law data

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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) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 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)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.724200.LN/A 
0.954300.MN/A 
0.83 MN/A 
0.823800.XN/A 
0.873900.MN/A 
0.853900.XN/A 
0.84 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.644500.XN/A 
0.694700.XN/A 
0.641500.XN/A 
0.863700.XBarr and Newsham, 1987 
0.902400.XN/A 
0.843500.XLeighton and Calo, 1981 
0.92 LN/A 
0.81 VN/A 
1.0 CN/A 
0.76 VN/A 
1.1 MPearson and McConnell, 1975The same data was also published in missing citation. Value at T = 293. K.
0.834100.MN/A 

Gas phase ion energetics data

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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 ± 0.04eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
11.05PIBerman, Anicich, et al., 1979LLK
11.04PEBerman, Anicich, et al., 1979LLK
11.12 ± 0.05PIWatanabe, Nakayama, et al., 1962RDSH
11.40 ± 0.10PEGan, Peel, et al., 1977Vertical value; Trans conformer; LLK
11.22 ± 0.02PEChau and McDowell, 1975Vertical value; LLK
11.39 ± 0.03PERaymonda, Edwards, et al., 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH2Cl+12.5 ± 0.1CH2ClEIHarrison and Shannon, 1962RDSH
C2H3Cl+11.1?PIBerman, Anicich, et al., 1979LLK

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty


Mass spectrum (electron ionization)

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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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Mass 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

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Vibrational and/or electronic energy levels

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Takehiko Shimanouchi

Trans form     Symmetry:   C2h     Symmetry Number sigma = 2


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

ag 1 CH2 s-str 2957  D  ia 2957 p liq.
ag 2 CH2 scis 1445  C  ia 1445 dp liq.
ag 3 CH2 wag 1304  C  ia 1304 p liq.
ag 4 CC str 1052  C  ia 1052 p liq.
ag 5 CCl str 754  C  ia 754 p liq.
ag 6 CCCl deform 300  C  ia 300 p liq.
au 7 CH2 a-str 3005  D 3005 W liq.  ia SF()gauche «nu»1, gauche «nu»11
au 8 CH2 twist 1123  B 1122.5 W gas  ia
au 9 CH2 rock 773  B 772.5 M gas  ia
au 10 Torsion 123  C 123 M gas  ia
bg 11 CH2 a-str 3005  D  ia 3005 dp liq.
bg 12 CH2 twist 1264  C  ia 1264 dp liq.
bg 13 CH2 rock 989  C  ia 989 p liq.
bu 14 CH2 s-str 2983  C 2983.3 M gas  ia
bu 15 CH2 scis 1461  A 1460.6 S gas  ia
bu 16 CH2 wag 1232  B 1232.3 S gas  ia
bu 17 CCl str 728  C 728.3 VS gas  ia
bu 18 CCCl deform 222  C 222.3 W gas  ia

Source: Shimanouchi, 1972

Gauche form     Symmetry:   C2     Symmetry Number sigma = 2


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a 1 CH2 a-str 3005  D 3005 W liq. 3005 dp liq. SF(«nu»11, )trans «nu»7
a 2 CH2 s-str 2957  D 2957 M liq. 2957 p liq. SF()trans «nu»1, trans «nu»14
a 3 CH2 scis 1433  C 1433 M liq. 1429 dp liq. OV(«nu»13)
a 4 CH2 wag 1315  C 1315 W gas 1304 liq.
a 5 CH2 twist 1207  C 1207 p liq.
a 6 CC str 1027  D 1027 W gas 1031 dp liq.
a 7 CH2 rock 948  B 947.7 M gas 943 p liq.
a 8 CCl str 669  C 669 M gas 654 p liq.
a 9 CCCl deform 272  D 272 VW liq. 265 p liq.
a 10 Torsion 125 liq.
b 11 CH2 a-str 3005  D 3005 W gas 3005 dp liq. SF(«nu»1, )trans «nu»7
b 12 CH2 s-str 2957  C 2957.2 W gas
b 13 CH2 scis 1436  B 1436.3 W gas
b 14 CH2 wag 1292  B 1292.1 S gas
b 15 CH2 twist 1146  D 1146 W gas 1145 dp liq.
b 16 CH2 rock 890  B 890.3 M gas 881 dp liq.
b 17 CCl str 693  B 692.5 W gas 677 dp liq.
b 18 CCCl deform 410  C 409.6 M gas 411 dp liq.

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
iaInactive
pPolarized
dpDepolarized
SFCalculation shows that the frequency approximately equals that of the vibration indicated in the parentheses.
OVOverlapped by band indicated in parentheses.
A0~1 cm-1 uncertainty
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty

Gas Chromatography

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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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryHP-10.645.4Wang, Liu, et al., 200530. m/0.25 mm/0.25 «mu»m
CapillaryHP-110.648.2Wang, Liu, et al., 200530. m/0.25 mm/0.25 «mu»m
CapillaryHP-120.656.2Wang, Liu, et al., 200530. m/0.25 mm/0.25 «mu»m
CapillaryHP-130.654.Wang, Liu, et al., 200530. m/0.25 mm/0.25 «mu»m
CapillaryHP-140.650.1Wang, Liu, et al., 200530. m/0.25 mm/0.25 «mu»m
CapillaryHP-150.647.7Wang, Liu, et al., 200530. m/0.25 mm/0.25 «mu»m
CapillaryHP-160.644.8Wang, Liu, et al., 200530. m/0.25 mm/0.25 «mu»m
CapillaryOV-170.632.Annino and Villalobos, 199922.6 m/0.53 mm/2.78 «mu»m
CapillaryDB-160.630.Dewulf, Van Langenhove, et al., 199730. m/0.53 mm/5.0 «mu»m, He
CapillaryOV-150.632.Villalobos, 199530. m/0.32 mm/0.96 «mu»m
PackedOV-1100.638.Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedOV-1125.641.Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedOV-175.633.Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedSE-30150.645.Tiess, 1984Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
PackedSE-30100.640.Winskowski, 1983Gaschrom Q; Column length: 2. m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCBP-1629.Shimadzu, 200325. m/0.2 mm/0.25 «mu»m, He, 50. C @ 5. min, 4. K/min; Tend: 200. C
CapillarySE-54641.Rembold, Wallner, et al., 198930. m/0.25 mm/0.25 «mu»m, He, 0. C @ 12. min, 12. K/min; Tend: 250. C

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M70.1085.Annino and Villalobos, 199931.3 m/0.53 mm/0.54 «mu»m
CapillaryCarbowax 20M50.1090.Villalobos, 199530. m/0.32 mm/0.54 «mu»m, He
CapillarySupelcowax-1060.1080.Castello, Vezzani, et al., 1991N2; Column length: 60. m; Column diameter: 0.75 mm
PackedSP-1000100.1084.2Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedSP-1000125.1084.96Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedSP-100075.1077.64Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedCarbowax 20M75.1076.Goebel, 1982N2, Kieselgur (60-100 mesh); Column length: 2. m

Kovats' RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCBP-201072.Shimadzu, 200325. m/0.2 mm/0.25 «mu»m, He, 50. C @ 5. min, 4. K/min; Tend: 200. C

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH620.White, Hackett, et al., 1992100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillarySE-54641.Weber, 198625. m/0.31 mm/0.17 «mu»m, H2, 2. K/min; Tstart: 35. C
CapillarySE-54643.Weber, 198625. m/0.31 mm/0.17 «mu»m, H2, 2. K/min; Tstart: 35. C
CapillarySE-54648.Weber, 198625. m/0.31 mm/0.17 «mu»m, H2, 2. K/min; Tstart: 35. C
PackedOV-101660.0Zilka and Matucha, 1978Ar, Supelcoport, 8. K/min; Column length: 2. m; Tstart: 40. C
PackedSE-30628.6Zilka and Matucha, 1978Ar, Chromaton N-AW-DMCS, 8. K/min; Column length: 2. m; Tstart: 40. C

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryMethyl Silicone60.606.Cao and Zhang, 2006Column length: 50. m; Column diameter: 0.25 mm
CapillaryMethyl Silicone70.607.Cao and Zhang, 2006Column length: 50. m; Column diameter: 0.25 mm
CapillaryMethyl Silicone80.610.Cao and Zhang, 2006Column length: 50. m; Column diameter: 0.25 mm
CapillaryDB-160.632.Shimadzu, 2003, 260. m/0.32 mm/1. «mu»m, He
PackedSynachrom150.586.Dufka, Malinsky, et al., 1971Helium, Synachrom (60-80 mesh); Column length: 1.5 m
PackedSynachrom150.595.Dufka, Malinsky, et al., 1971Helium, Synachrom (60-80 mesh); Column length: 1.5 m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH621.Supelco, 2012100. m/0.25 mm/0.50 «mu»m, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryBP-1627.Health Safety Executive, 200050. m/0.22 mm/0.75 «mu»m, He, 5. K/min; Tstart: 50. C; Tend: 200. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxanes632.Zenkevich, Eliseenkov, et al., 2006Program: not specified
CapillaryPolydimethyl siloxanes632.Zenkevich, 2003Program: not specified
CapillaryMethyl Silicone632.Zenkevich, 2001Program: not specified
CapillaryMethyl Silicone633.Zenkevich, 1998Program: not specified
CapillarySPB-1630.Flanagan, Streete, et al., 199760. m/0.53 mm/5. «mu»m, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryPolydimethyl siloxanes632.Zenkevich, Chupalov, et al., 1996Program: not specified
CapillaryPolydimethyl siloxanes632.Zenkevich and Chupalov, 1996Program: not specified
CapillaryDB-5673.Sorimachi, Tanabe, et al., 1995He; Column length: 30. m; Program: not specified
CapillarySPB-1630.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 «mu»m, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1631.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 «mu»m, Helium; Program: not specified
CapillaryCP Sil 8 CB649.Weller and Wolf, 198940. m/0.25 mm/0.25 «mu»m, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.632.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1631.Ramsey and Flanagan, 1982Program: not specified
CapillarySE-30623.Heydanek and McGorrin, 1981He; Column length: 50. m; Column diameter: 0.5 mm; Program: -10C (8min) => 12C/min => 26C => 3C/min => 170C (30min)
PackedApiezon L649.3Keiko, Prokop'ev, et al., 1972Program: not specified
PackedSqualane635.5Keiko, Prokop'ev, et al., 1972Program: not specified

Normal alkane RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-Wax60.1093.Shimadzu, 2003, 250. m/0.32 mm/1. «mu»m, He

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1088.Shimadzu, 201230. m/0.32 mm/0.50 «mu»m, Helium, 4. K/min; Tstart: 40. C; Tend: 260. C
CapillaryDB-Wax1088.Shimadzu Corporation, 200330. m/0.32 mm/0.5 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 260. C
PackedCarbowax 20M-TPA1065.Szymanowski, Kusz, et al., 1990Chromosorb W AW DMCS, 100. C @ 1. min, 5. K/min; Column length: 1.6 m; Tend: 220. C
PackedCarbowax 20M-TPA1065.Szymanowski, Kusz, et al., 1989Ar, 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

View large format table.

Column type Active phase I Reference Comment
CapillarySuperox 0.6; Carbowax 20M1045.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.1045.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCarbowax 20M1051.Ramsey and Flanagan, 1982Program: 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, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, 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, 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]

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, J. Am. Chem. Soc., 1940, 62, 331-335. [all data]

Hallen, 1993
Hallen, D., Enthalpies of solution and heat capacities for some a,w-dichloroalkanes in water, J. Chem. Thermodynam., 1993, 25, 519-524. [all data]

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, J. Chem. Thermodynam., 1979, 11, 979-984. [all data]

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, Izv. Vyssh. Uchebn. Zaved. Neft Gaz. 10, 1967, No.1, 79-82. [all data]

Ruiter, 1955
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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, Trans. Faraday Soc., 1955, 51, 323-342. [all data]

Sieg, Crtzen, et al., 1951
Sieg, L.; Crtzen, J.L.; Jost, W., Zur Thermodynamik von Mischphasen IX. Über das Verdampfungsgleichgewicht Benzol-1-2-Dichloraethan, Z. Phys. Chem., 1951, 198, 263-269. [all data]

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Kurbatov, V.Ya., Heat capacity of liquids. 2. Heat capacity and the temperature dependence of heat capacity from halogen derivatives of acylic hydrocarbons, Zh. Obshch. Kim., 1948, 18, 372-389. [all data]

Railing, 1939
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von Reis, 1881
von Reis, M.A., Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht, Ann. Physik [3], 1881, 13, 447-464. [all data]

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Pitzer, 1940, 2
Pitzer, K.S., The Heat Capacities, Heats of Transition and Fusion, and Entropies of Ethylene Dichloride and Ethylene Dibromide, J. Am. Chem. Soc., 1940, 62, 331-5. [all data]

Garcia-Sanchez and Trejo Rodriguez, 1985
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Majer and Svoboda, 1985
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Hojendahl, 1946
Hojendahl, K., Dielectric Constant, Viscosity, Surface Tension, and Critical Data of Boron Tribromide, Dioxane, and Ethylene Dichloride, Mat.-Fys. Medd. - K. Dan. Vidensk. Selsk., 1946, 24, 1. [all data]

Stephenson and Malanowski, 1987
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Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [all data]

Gutsche and Knapp, 1982
Gutsche, Bernhard; Knapp, Helmut, Isothermal measurements of vapor-liquid equilibria for three n-alkane-chloroalkane mixtures, Fluid Phase Equilibria, 1982, 8, 3, 285-300, https://doi.org/10.1016/0378-3812(82)80040-X . [all data]

Gallaugher and Hibbert, 1937
Gallaugher, A.F.; Hibbert, H., Studies on reactions relating to carbohydrates and polysaccharides. LV. Vapor pressures of the polyethylene glycols and their derivatives, J. Am. Chem. Soc., 1937, 59, 2521-2525. [all data]

Pearce and Peters, 1928
Pearce, J.N.; Peters, P.E., The Vapor Pressure of Ethylene Chloride between--30° and 100°, J. Phys. Chem., 1928, 33, 6, 873-878, https://doi.org/10.1021/j150300a006 . [all data]

Pearce and Peters, 1929
Pearce, J.N.; Peters, P.E., The Vapor Pressure of Ethylene Chloride Between -30° and 100°, J. Phys. Chem., 1929, 33, 6, 873-878, https://doi.org/10.1021/j150300a006 . [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]

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Buravtsev, N.N.; Grigor'ev, A.S.; Zaidman, O.A.; Kolbanovskii, Yu.A.; Markelov, M.YU.; Sadogurskii, M.N.; Treger, Yu.A., 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]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]

Wang, Liu, et al., 2005
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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, J. Hi. Res. Chromatogr., 1999, 22, 10, 589-593. [all data]

Dewulf, Van Langenhove, et al., 1997
Dewulf, J.; Van Langenhove, H.; Everaert, M., Solid-phase microextraction of volatile organic compounds estimation of the sorption equilibrium from the Kováts index, effect of salinity and humic acids and the study of the kinetics by the development of an agitated/static layer model, J. Chromatogr. A, 1997, 761, 1-2, 205-217, https://doi.org/10.1016/S0021-9673(96)00810-2 . [all data]

Villalobos, 1995
Villalobos, R., A window diagram for key component analysis in on-line gas chromatography, J. Hi. Res. Chromatogr., 1995, 18, 6, 343-347, https://doi.org/10.1002/jhrc.1240180604 . [all data]

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]

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 . [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]

White, Hackett, et al., 1992
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Weber, L., Utilization of the Sadtler standard RI system in micropollution analyses, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 8, 446-451, https://doi.org/10.1002/jhrc.1240090806 . [all data]

Zilka and Matucha, 1978
Zilka, L.; Matucha, M., Gas chromatographic analysis of chlorinated ethanes, J. Chromatogr., 1978, 148, 1, 229-235, https://doi.org/10.1016/S0021-9673(00)99342-7 . [all data]

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, Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]

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]

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, 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]

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Zenkevich and Chupalov, 1996
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Sorimachi, Tanabe, et al., 1995
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Strete, Ruprah, et al., 1992
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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]

Heydanek and McGorrin, 1981
Heydanek, M.G.; McGorrin, R.J., Gas chromatography-mass spectroscopy investigations on the flavor chemistry of oat groats, J. Agric. Food Chem., 1981, 29, 5, 950-954, https://doi.org/10.1021/jf00107a016 . [all data]

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, Izv. Akad. Nauk Kaz. SSR Ser. Khim., 1972, 12, 2629-2633. [all data]

Shimadzu, 2012
Shimadzu, Pharmaceutical Related, Analysis of pharmaceutical residual solvent (observation of separation) (1) - GC, 2012, retrieved from www.shimadzu.ru/applications/Applicationspdf/GC/Pharma/Pharmaceutical residual solvents GC.pdf. [all data]

Shimadzu Corporation, 2003
Shimadzu Corporation, Analysis of pharmaceutical residual solvent (observation of separation), 2003, retrieved from http://www.shimadzu.com.br/analitica/aplicacoes/book/pharm69.pdf. [all data]

Szymanowski, Kusz, et al., 1990
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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, J. Chromatogr., 1989, 469, 197-208, https://doi.org/10.1016/S0021-9673(01)96455-6 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, References