Methylene chloride

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering 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 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
Δfgas-22.83kcal/molReviewChase, 1998Data last reviewed in December, 1968
Δfgas-22.7 ± 0.60kcal/molReviewManion, 2002derived from recommended ΔfHliquid° and ΔvapH°; DRB
Δfgas-22.87 ± 0.32kcal/molChydLacher, Amador, et al., 1967Reanalyzed by Cox and Pilcher, 1970, Original value = -22.95 ± 0.32 kcal/mol; At 250 C; ALS
Quantity Value Units Method Reference Comment
gas,1 bar64.598cal/mol*KReviewChase, 1998Data 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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 1200.1200. to 6000.
A 4.58257922.73660
B 32.706601.606531
C -22.73660-0.307886
D 6.2215710.020470
E -0.028538-3.570471
F -25.55779-37.60770
G 61.1889181.39130
H -22.83010-22.83010
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1968 Data last reviewed in December, 1968

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering 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 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
Δfliquid-29.66 ± 0.60kcal/molReviewManion, 2002adopted combustion calorimetry data of Hu and Sinke, 1969 with increased uncertainty to reflect other data; DRB
Δfliquid-29.70kcal/molCcrHu and Sinke, 1969, 2ALS
Quantity Value Units Method Reference Comment
Δcliquid-144.00kcal/molCcrHu and Sinke, 1969, 2ALS
Δcliquid-144.8 ± 2.0kcal/molCcbSmith, Bjellerup, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = -144. ± 1. kcal/mol; ALS
Quantity Value Units Method Reference Comment
liquid41.71cal/mol*KN/AMoseeva, Rabinovich, et al., 1978DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
24.45298.15Moseeva, Rabinovich, et al., 1978T = 5 to 300 K.; DH
25.22303.2Harrison and Moelwyn-Hughes, 1957T = 244 to 303 K. Unsmoothed experimental datum.; DH
30.90298.Kurbatov, 1948T = -76 to 41°C. Mean Cp, four temperatures.; DH
23.90298.Riedel, 1941T = -47 to 41°C.; DH
23.90298.1Riedel, 1940T = -47 to 41°C.; DH
24.02292.5Perlick, 1937T = -58 to 19°C. Value is unsmoothed experimental datum.; DH
24.09292.5Perlick, 1937, 2T = -58 to 19°C. Value is unsmoothed experimental datum.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Ion clustering 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 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
Tboil313. ± 1.KAVGN/AAverage of 12 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus198.06KN/ATimmermans, 1952Uncertainty assigned by TRC = 0.4 K; TRC
Tfus176.KN/AVan de Vloed, 1939Uncertainty assigned by TRC = 1.5 K; TRC
Tfus177.KN/ATimmermans, 1935Uncertainty assigned by TRC = 2. K; TRC
Tfus176.65KN/ATimmermans, 1934Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Tc508.KN/AGarcia-Sanchez, Romero-Martinez, et al., 1989Uncertainty assigned by TRC = 0.2 K; mean of 5 determinations, direct observation of meniscus; TRC
Tc510.KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Pc62.72atmN/AGarcia-Sanchez, Romero-Martinez, et al., 1989Uncertainty assigned by TRC = 0.15 atm; mean of 5 determinations, measurement of P at Tc; TRC
Quantity Value Units Method Reference Comment
Δvap6.9kcal/molN/AMajer and Svoboda, 1985 
Δvap6.94 ± 0.02kcal/molReviewManion, 2002adopted Majer, Svab, et al., 1980 value plus a correction for non-ideality; DRB
Δvap7.31 ± 0.02kcal/molCAn and Hu, 1989AC
Δvap6.88kcal/molCMajer, Sváb, et al., 1980AC
Δvap6.80 ± 0.10kcal/molVMathews, 1926Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 6.61 ± 0.23 kcal/mol; ALS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
6.707313.N/AMajer and Svoboda, 1985 
7.22248.N/AGaneff and Jungers, 2010Based on data from 233. to 313. K.; AC
6.93326.AStephenson and Malanowski, 1987Based on data from 311. to 383. K.; AC
7.24279.EBBoublík and Aim, 1972Based on data from 264. to 311. K.; AC
6.98308.N/AMueller and Ignatowski, 1960Based on data from 303. to 313. K.; AC
7.03186. to 312.N/APerry, 1926AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
303.14 to 313.143.967521016.865-56.623Mueller and Ignatowski, 1960, 2Coefficents calculated by NIST from author's data.
233. to 313.4.531201327.016-20.474Ganeff and Jungers, 1948Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
1.472178.22Moseeva, Rabinovich, et al., 1978DH
1.47178.2Domalski and Hearing, 1996AC

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Ion clustering 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 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- + Hydrogen cation = Methylene chloride

By formula: CHCl2- + H+ = CH2Cl2

Quantity Value Units Method Reference Comment
Δr375.7 ± 2.2kcal/molG+TSBorn, Ingemann, et al., 2000gas phase; D-EA from this reference yields BDE = 96.0±3.2 kcal/mol; B
Δr374.5 ± 3.1kcal/molG+TSBohme, Lee-Ruff, et al., 1972gas phase; Comparable to DMSO; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Δr368.0 ± 2.0kcal/molIMREBorn, Ingemann, et al., 2000gas phase; D-EA from this reference yields BDE = 96.0±3.2 kcal/mol; B
Δr369.00 ± 0.70kcal/molIMREPoutsma, Paulino, et al., 1997gas phase; relative to tBuOH at ΔGacid = 369.3; B
Δr366.8 ± 3.0kcal/molIMRBBohme, Lee-Ruff, et al., 1972gas phase; Comparable to DMSO; value altered from reference due to change in acidity scale; B

Chlorine anion + Methylene chloride = (Chlorine anion • Methylene chloride)

By formula: Cl- + CH2Cl2 = (Cl- • CH2Cl2)

Quantity Value Units Method Reference Comment
Δr15.8 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Δr14.8 ± 2.0kcal/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B
Δr15.50 ± 0.30kcal/molTDEqDougherty, Dalton, et al., 1974gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.1cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Kebarle, 1977; M
Δr22.0cal/mol*KHPMSDougherty, Dalton, et al., 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr9.2 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Δr8.84kcal/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B
Δr8.90 ± 0.60kcal/molTDEqDougherty, Dalton, et al., 1974gas phase; B

CN- + Methylene chloride = (CN- • Methylene chloride)

By formula: CN- + CH2Cl2 = (CN- • CH2Cl2)

Quantity Value Units Method Reference Comment
Δr16.3 ± 3.5kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr24.2cal/mol*KN/ALarson and McMahon, 1987gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
Δr9.0 ± 2.3kcal/molIMRELarson and McMahon, 1987gas phase; B,M

C2H5+ + Methylene chloride = (C2H5+ • Methylene chloride)

By formula: C2H5+ + CH2Cl2 = (C2H5+ • CH2Cl2)

Quantity Value Units Method Reference Comment
Δr36.0kcal/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr45.1cal/mol*KPHPMSSharma, Meza de Hojer, et al., 1985gas phase; Entropy change is questionable; M

2Hydrogen + Methylene chloride = Methane + 2Hydrogen chloride

By formula: 2H2 + CH2Cl2 = CH4 + 2HCl

Quantity Value Units Method Reference Comment
Δr-39.05 ± 0.30kcal/molChydLacher, Amador, et al., 1967gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -40.07 ± 0.30 kcal/mol; At 250 C; ALS

CH2Cl3- + 2Methylene chloride = C2H4Cl5-

By formula: CH2Cl3- + 2CH2Cl2 = C2H4Cl5-

Quantity Value Units Method Reference Comment
Δr13.10kcal/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr6.54kcal/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

C2H4Cl5- + 3Methylene chloride = C3H6Cl7-

By formula: C2H4Cl5- + 3CH2Cl2 = C3H6Cl7-

Quantity Value Units Method Reference Comment
Δr9.70kcal/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr4.63kcal/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

C3H6Cl7- + 4Methylene chloride = C4H8Cl9-

By formula: C3H6Cl7- + 4CH2Cl2 = C4H8Cl9-

Quantity Value Units Method Reference Comment
Δr9.00kcal/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr3.63kcal/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

C4H8Cl9- + 5Methylene chloride = C5H10Cl11-

By formula: C4H8Cl9- + 5CH2Cl2 = C5H10Cl11-

Quantity Value Units Method Reference Comment
Δr7.70kcal/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr2.63kcal/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

C3H7+ + Methylene chloride = (C3H7+ • Methylene chloride)

By formula: C3H7+ + CH2Cl2 = (C3H7+ • CH2Cl2)

Quantity Value Units Method Reference Comment
Δr15.6kcal/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr31.0cal/mol*KPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M

C6H11+ + Methylene chloride = (C6H11+ • Methylene chloride)

By formula: C6H11+ + CH2Cl2 = (C6H11+ • CH2Cl2)

Quantity Value Units Method Reference Comment
Δr10.6kcal/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr31.1cal/mol*KPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M

Lithium ion (1+) + Methylene chloride = (Lithium ion (1+) • Methylene chloride)

By formula: Li+ + CH2Cl2 = (Li+ • CH2Cl2)

Quantity Value Units Method Reference Comment
Δr29.kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 interpolated; M

C4H9+ + Methylene chloride = (C4H9+ • Methylene chloride)

By formula: C4H9+ + CH2Cl2 = (C4H9+ • CH2Cl2)

Quantity Value Units Method Reference Comment
Δr9.5kcal/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr22.3cal/mol*KPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M

C5H11+ + Methylene chloride = (C5H11+ • Methylene chloride)

By formula: C5H11+ + CH2Cl2 = (C5H11+ • CH2Cl2)

Quantity Value Units Method Reference Comment
Δr9.5kcal/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr23.3cal/mol*KPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M

C5H9+ + Methylene chloride = (C5H9+ • Methylene chloride)

By formula: C5H9+ + CH2Cl2 = (C5H9+ • CH2Cl2)

Quantity Value Units Method Reference Comment
Δr9.8kcal/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr20.2cal/mol*KPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M

C14H21MnO2 (solution) + Methylene chloride (solution) = C8H7Cl2MnO2 (solution) + Heptane (solution)

By formula: C14H21MnO2 (solution) + CH2Cl2 (solution) = C8H7Cl2MnO2 (solution) + C7H16 (solution)

Quantity Value Units Method Reference Comment
Δr-9.0 ± 1.0kcal/molPACYang and Yang, 1992solvent: Heptane; MS

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

CH2Cl3- + 2Methylene chloride = C2H4Cl5-

By formula: CH2Cl3- + 2CH2Cl2 = C2H4Cl5-

Quantity Value Units Method Reference Comment
Δr13.10kcal/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr6.54kcal/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

CN- + Methylene chloride = (CN- • Methylene chloride)

By formula: CN- + CH2Cl2 = (CN- • CH2Cl2)

Quantity Value Units Method Reference Comment
Δr16.3 ± 3.5kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr24.2cal/mol*KN/ALarson and McMahon, 1987gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
Δr9.0 ± 2.3kcal/molIMRELarson and McMahon, 1987gas phase; B,M

C2H4Cl5- + 3Methylene chloride = C3H6Cl7-

By formula: C2H4Cl5- + 3CH2Cl2 = C3H6Cl7-

Quantity Value Units Method Reference Comment
Δr9.70kcal/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr4.63kcal/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

C2H5+ + Methylene chloride = (C2H5+ • Methylene chloride)

By formula: C2H5+ + CH2Cl2 = (C2H5+ • CH2Cl2)

Quantity Value Units Method Reference Comment
Δr36.0kcal/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr45.1cal/mol*KPHPMSSharma, Meza de Hojer, et al., 1985gas phase; Entropy change is questionable; M

C3H6Cl7- + 4Methylene chloride = C4H8Cl9-

By formula: C3H6Cl7- + 4CH2Cl2 = C4H8Cl9-

Quantity Value Units Method Reference Comment
Δr9.00kcal/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr3.63kcal/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

C3H7+ + Methylene chloride = (C3H7+ • Methylene chloride)

By formula: C3H7+ + CH2Cl2 = (C3H7+ • CH2Cl2)

Quantity Value Units Method Reference Comment
Δr15.6kcal/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr31.0cal/mol*KPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M

C4H8Cl9- + 5Methylene chloride = C5H10Cl11-

By formula: C4H8Cl9- + 5CH2Cl2 = C5H10Cl11-

Quantity Value Units Method Reference Comment
Δr7.70kcal/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr2.63kcal/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

C4H9+ + Methylene chloride = (C4H9+ • Methylene chloride)

By formula: C4H9+ + CH2Cl2 = (C4H9+ • CH2Cl2)

Quantity Value Units Method Reference Comment
Δr9.5kcal/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr22.3cal/mol*KPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M

C5H9+ + Methylene chloride = (C5H9+ • Methylene chloride)

By formula: C5H9+ + CH2Cl2 = (C5H9+ • CH2Cl2)

Quantity Value Units Method Reference Comment
Δr9.8kcal/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr20.2cal/mol*KPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M

C5H11+ + Methylene chloride = (C5H11+ • Methylene chloride)

By formula: C5H11+ + CH2Cl2 = (C5H11+ • CH2Cl2)

Quantity Value Units Method Reference Comment
Δr9.5kcal/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr23.3cal/mol*KPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M

C6H11+ + Methylene chloride = (C6H11+ • Methylene chloride)

By formula: C6H11+ + CH2Cl2 = (C6H11+ • CH2Cl2)

Quantity Value Units Method Reference Comment
Δr10.6kcal/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr31.1cal/mol*KPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M

Chlorine anion + Methylene chloride = (Chlorine anion • Methylene chloride)

By formula: Cl- + CH2Cl2 = (Cl- • CH2Cl2)

Quantity Value Units Method Reference Comment
Δr15.8 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Δr14.8 ± 2.0kcal/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B
Δr15.50 ± 0.30kcal/molTDEqDougherty, Dalton, et al., 1974gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.1cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Kebarle, 1977; M
Δr22.0cal/mol*KHPMSDougherty, Dalton, et al., 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr9.2 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Δr8.84kcal/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B
Δr8.90 ± 0.60kcal/molTDEqDougherty, Dalton, et al., 1974gas phase; B

Lithium ion (1+) + Methylene chloride = (Lithium ion (1+) • Methylene chloride)

By formula: Li+ + CH2Cl2 = (Li+ • CH2Cl2)

Quantity Value Units Method Reference Comment
Δr29.kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 interpolated; M

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, 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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryHP-10.553.5Wang, Liu, et al., 200530. m/0.25 mm/0.25 μm
CapillaryHP-110.555.9Wang, Liu, et al., 200530. m/0.25 mm/0.25 μm
CapillaryHP-140.553.7Wang, Liu, et al., 200530. m/0.25 mm/0.25 μm
CapillaryHP-150.548.4Wang, Liu, et al., 200530. m/0.25 mm/0.25 μm
CapillaryHP-160.542.2Wang, Liu, et al., 200530. m/0.25 mm/0.25 μm
PackedC78, Branched paraffin130.506.3Dallos, Sisak, et al., 2000He; Column length: 3.3 m
CapillaryOV-170.518.Annino and Villalobos, 199922.6 m/0.53 mm/2.78 μm
PackedC78, Branched paraffin130.504.9Reddy, Dutoit, et al., 1992Chromosorb G HP; Column length: 3.3 m
PackedApolane130.508.Dutoit, 1991Column length: 3.7 m
CapillaryOV-160.516.9Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 μm, He
CapillaryOV-175.516.5Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 μm, He
CapillarySE-5460.537.8Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 μm, He
CapillarySE-5475.537.9Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 μm, He
PackedOV-1100.519.Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedOV-1125.520.Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedOV-175.518.Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedSqualane80.486.Pacáková, Vojtechová, et al., 1988N2, Chezasorb AW-HMDS; Column length: 1.2 m
PackedSE-30100.524.Winskowski, 1983Gaschrom Q; Column length: 2. m
PackedApolane70.497.9Riedo, Fritz, et al., 1976He, Chromosorb; Column length: 2.4 m
PackedSqualane50.477.Vernon, 1971N2
PackedApiezon L130.511.von Kováts, 1958Celite (40:60 Gewichtsverhaltnis)
PackedApiezon L70.513.von Kováts, 1958Celite (40:60 Gewichtsverhaltnis)

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillarySE-54531.Rembold, Wallner, et al., 198930. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C
CapillaryOV-101540.Ohnishi and Shibamoto, 19842. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-101540.Ohnishi and Shibamoto, 19842. 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

View large format table.

Column type Active phase I Reference Comment
PackedSE-30510.Minyard, Tumlinson, et al., 1967He, Chromasorb W; Column length: 6.1 m; Program: 150C (10min) => 15C/min => 200C(16min) => 10C/min => 240C

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M70.948.Annino and Villalobos, 199931.3 m/0.53 mm/0.54 μm
CapillarySupelcowax-1060.946.Castello, Vezzani, et al., 1991N2; Column length: 60. m; Column diameter: 0.75 mm
PackedSP-1000100.935.7Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedSP-1000125.932.62Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedSP-100075.926.65Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedCarbowax 20M75.933.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-20933.Shimadzu, 200325. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C
CapillaryDB-Wax914.Shimoda and Shibamoto, 1990He, 40. C @ 6. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 190. C
CapillaryDB-Wax925.Tatsuka, Suekane, et al., 199060. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 200. C
CapillaryDB-Wax931.Tatsuka, Suekane, et al., 199060. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 200. C
CapillaryDB-Wax948.Umano and Shibamoto, 198840. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C
CapillaryDB-Wax948.Umano and Shibamoto, 198840. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C
CapillaryDB-Wax905.Umano, Shoji, et al., 1986N2, 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

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH512.7Censullo, Jones, et al., 200350. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillaryDB-5531.6Xu, van Stee, et al., 200330. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryDB-1524.Helmig, Pollock, et al., 199630. 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

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax937.2Censullo, Jones, et al., 200360. m/0.25 mm/0.5 μm, He, 50. C @ 10. min, 5. K/min, 250. C @ 10. min
CapillaryFFAP936.Ott, Fay, et al., 199730. 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

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-10927.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillarySupelcowax-10933.Bianchi, Careri, et al., 200730. 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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-160.520.Shimadzu, 2003, 260. m/0.32 mm/1. μm, He
PackedSynachrom150.480.Dufka, Malinsky, et al., 1971Helium, Synachrom (60-80 mesh); Column length: 1.5 m
PackedSqualane100.488.Vernon, 1971N2

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS531.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min
CapillarySPB-5531.Vasta, Ratel, et al., 200760. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
CapillarySPB-5528.Pérès, Begnaud, et al., 200260. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 200. C @ 5. min
CapillaryBP-1514.Health Safety Executive, 200050. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryUltra-2520.King, Matthews, et al., 199550. m/0.32 mm/0.52 μm, He, 40. C @ 3. min, 4. K/min, 250. C @ 30. min
CapillaryDB-1511.Habu, Flath, et al., 19853. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C
CapillarySF-96527.Donetzhuber, Johansson, et al., 1976Nitrogen, 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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS528.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-5529.Rotsatschakul, Visesanguan, et al., 200960. 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)
CapillaryPolydimethyl siloxanes515.Zenkevich, Eliseenkov, et al., 2006Program: not specified
CapillaryMethyl Silicone519.Blunden, Aneja, et al., 200560. 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)
CapillaryMethyl Silicone515.Zenkevich, 1998Program: not specified
CapillarySPB-1515.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryDB-5531.Sorimachi, Tanabe, et al., 1995He; Column length: 30. m; Program: not specified
CapillaryMethyl Silicone515.Zenkevich, Korolenko, et al., 1995Program: not specified
CapillaryDB-1512.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 μm; Program: not specified
CapillarySPB-1515.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1515.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: not specified
CapillaryDB-1504.Kawai, Ishida, et al., 199160. m/0.25 mm/0.25 μm; Program: not specified
CapillaryDB-1510.Kawai, Ishida, et al., 199160. m/0.25 mm/0.25 μm; Program: not specified
CapillaryMethyl Silicone527.Zenkevich and Kuznetsova, 1990Program: not specified
CapillaryCP Sil 8 CB530.Weller and Wolf, 198940. m/0.25 mm/0.25 μm, 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.524.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.524.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1515.Ramsey and Flanagan, 1982Program: not specified

Normal alkane RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-Wax60.953.Shimadzu, 2003, 250. m/0.32 mm/1. μm, He

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax944.Shimadzu, 201230. m/0.32 mm/0.50 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 260. C
CapillaryDB-Wax932.Rochat, Egger, et al., 200930. m/0.25 mm/0.25 μm, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min
CapillaryDB-Wax937.Rochat, Egger, et al., 200930. m/0.25 mm/0.25 μm, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min
CapillaryDB-Wax944.Shimadzu Corporation, 200330. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 260. C
CapillaryDB-Wax933.Fu, Yoon, et al., 200230. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 8. K/min, 250. C @ 5. min
CapillaryDB-Wax919.Duque, Bonilla, et al., 200130. m/0.25 mm/0.25 μm, Helium, 4. K/min, 220. C @ 30. min; Tstart: 25. C
CapillaryDB-Wax925.Takeoka, Flath, et al., 198860. m/0.25 mm/0.25 μm, H2, 30. C @ 2. min, 2. K/min; Tend: 180. C
CapillaryDB-Wax928.Takeoka, Flath, et al., 198860. 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

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax 10912.Soria, Martinez-Castro, et al., 200850. 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)
CapillarySupelcowax-10927.Berard, Bianchi, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)
CapillarySupelcowax-10933.Berard, Bianchi, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)
CapillaryPolyethylene Glycol914.Zenkevich, Korolenko, et al., 1995Program: not specified
CapillaryCarbowax 20M917.Ramsey and Flanagan, 1982Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, 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
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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]

Hu and Sinke, 1969
Hu, A.T.; Sinke, G.C., Combustion calorimetry of some chlorinated organic compounds, J. Chem. Thermodyn., 1969, 1, 6, 507, https://doi.org/10.1016/0021-9614(69)90010-X . [all data]

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Smith, Bjellerup, et al., 1953
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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]

Harrison and Moelwyn-Hughes, 1957
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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]

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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]

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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]

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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]

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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]

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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]

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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]

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Notes

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