Benzene, chloro-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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

Quantity Value Units Method Reference Comment
Δfgas13.01kcal/molCcrPlatonov and Simulin, 1985 

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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:
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
Δfliquid2.74 ± 0.25kcal/molCcrKolesov, Tomareva, et al., 1967Reanalyzed by Cox and Pilcher, 1970, Original value = 2.82 kcal/mol; ALS
Δfliquid2.55 ± 0.19kcal/molCcbHubbard, Knowlton, et al., 1954ALS
Quantity Value Units Method Reference Comment
Δcliquid-743.9 ± 0.2kcal/molCcrPlatonov and Simulin, 1985ALS
Δcliquid-743.48 ± 0.24kcal/molCcrKolesov, Tomareva, et al., 1967ALS
Δcliquid-743.04 ± 0.19kcal/molCcbHubbard, Knowlton, et al., 1954ALS
Δcliquid-743.7 ± 2.0kcal/molCcbSmith, Bjellerup, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = -742.64 kcal/mol; ALS
Quantity Value Units Method Reference Comment
liquid47.20cal/mol*KN/AStull, 1937Extrapolation below 91 K, 44.02 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
36.35298.15Shehatta, 1993DH
36.754298.15Perez-Casas, Aicart, et al., 1988DH
35.99303.15Reddy, 1986T = 303.15, 313.15 K.; DH
36.0390298.15Fortier and Benson, 1977DH
35.30298.Deshpande and Bhatagadde, 1971T = 298 to 318 K.; DH
37.60305.6Phillip, 1939DH
35.870298.1Stull, 1937T = 90 to 320 K.; DH
34.80293.2Williams and Daniels, 1925T = 20 to 80°C.; DH
33.70298.von Reis, 1881T = 294 to 425 K.; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
25.41216.8Andrews and Haworth, 1928T = 101 to 217 K. Value is unsmoothed experimental datum.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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
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
Tboil404.9 ± 0.6KAVGN/AAverage of 53 out of 55 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus228.0 ± 0.4KAVGN/AAverage of 19 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple227.9KN/AStull, 1937, 2Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tc632.35KN/AYoung, 1910Uncertainty assigned by TRC = 0.3 K; disappearance of meniscus; TRC
Tc632.65KN/ALivingston, Morgan, et al., 1908Uncertainty assigned by TRC = 6. K; calculation based on extrap. of density and surface tension; TRC
Tc635.35KN/AAltschul, 1893Uncertainty assigned by TRC = 2. K; disappearance of meniscus; TRC
Quantity Value Units Method Reference Comment
Pc44.600atmN/AYoung, 1910Uncertainty assigned by TRC = 0.2999 atm; TRC
Quantity Value Units Method Reference Comment
ρc3.24mol/lN/AYoung, 1910Uncertainty assigned by TRC = 0.04 mol/l; law of rectilinear diam.; TRC
Quantity Value Units Method Reference Comment
Δvap9.7 ± 0.9kcal/molAVGN/AAverage of 7 values; Individual data points

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
8.411404.9N/AMajer and Svoboda, 1985 
11.5258. to 313.GCLiu and Dickhut, 1994AC
8.46420.AStephenson and Malanowski, 1987Based on data from 405. to 597. K.; AC
9.27348.AStephenson and Malanowski, 1987Based on data from 333. to 405. K. See also Brown, 1952 and Boublik, Fried, et al., 1984.; AC
8.91278.MEZibberman-Granovskaya, 1940Based on data from 253. to 303. K.; AC

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
335.19 to 404.884.105121435.675-55.124Brown, 1952, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
2.28227.9Domalski and Hearing, 1996AC
2.284227.89Stull, 1937DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
10.02227.89Stull, 1937DH

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, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

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

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

Chlorine anion + Benzene, chloro- = (Chlorine anion • Benzene, chloro-)

By formula: Cl- + C6H5Cl = (Cl- • C6H5Cl)

Quantity Value Units Method Reference Comment
Δr12.00 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Δr13.6 ± 1.0kcal/molIMRELarson and McMahon, 1984gas phase; B,B,M
Δr12.6kcal/molPHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/APaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Δr16.5cal/mol*KPHPMSSieck, 1985gas phase; M
Δr22.4cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Quantity Value Units Method Reference Comment
Δr7.10 ± 0.20kcal/molTDAsSieck, 1985gas phase; B
Δr6.9 ± 1.0kcal/molIMRELarson and McMahon, 1984gas phase; B,B,M
Δr6.50kcal/molTDEqFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.6300.PHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
6.5300.PHPMSFrench, Ikuta, et al., 1982gas phase; M

C6H4Cl- + Hydrogen cation = Benzene, chloro-

By formula: C6H4Cl- + H+ = C6H5Cl

Quantity Value Units Method Reference Comment
Δr391.0 ± 1.9kcal/molBranWenthold and Squires, 1995gas phase; B
Δr390.2 ± 2.1kcal/molG+TSWenthold and Squires, 1994gas phase; between furan, pyridine; B
Δr390.2 ± 2.1kcal/molG+TSWenthold, Paulino, et al., 1991gas phase; Between H2O, furan. Wenthold and Squires, 1994 indicates isomerization occuring.; B
Quantity Value Units Method Reference Comment
Δr382.8 ± 2.0kcal/molH-TSWenthold and Squires, 1995gas phase; B
Δr382.0 ± 2.0kcal/molIMRBWenthold and Squires, 1994gas phase; between furan, pyridine; B
Δr382.0 ± 2.0kcal/molIMRBWenthold, Paulino, et al., 1991gas phase; Between H2O, furan. Wenthold and Squires, 1994 indicates isomerization occuring.; B

C6H4Cl- + Hydrogen cation = Benzene, chloro-

By formula: C6H4Cl- + H+ = C6H5Cl

Quantity Value Units Method Reference Comment
Δr394.4 ± 1.3kcal/molBranWenthold and Squires, 1995gas phase; B
Δr389.7 ± 2.1kcal/molG+TSWenthold and Squires, 1994gas phase; between furan, pyridine; B
Δr389.7 ± 2.1kcal/molG+TSWenthold, Paulino, et al., 1991gas phase; Between H2O, furan. Wenthold and Squires, 1994 indicates isomerization occuring.; B
Quantity Value Units Method Reference Comment
Δr386.6 ± 1.4kcal/molH-TSWenthold and Squires, 1995gas phase; B
Δr382.0 ± 2.0kcal/molIMRBWenthold and Squires, 1994gas phase; between furan, pyridine; B
Δr382.0 ± 2.0kcal/molIMRBWenthold, Paulino, et al., 1991gas phase; Between H2O, furan. Wenthold and Squires, 1994 indicates isomerization occuring.; B

C6H4Cl- + Hydrogen cation = Benzene, chloro-

By formula: C6H4Cl- + H+ = C6H5Cl

Quantity Value Units Method Reference Comment
Δr386.7 ± 2.1kcal/molG+TSAndrade and Riveros, 1996gas phase; B
Δr388.2 ± 2.0kcal/molBranWenthold and Squires, 1995gas phase; B
Δr387.7 ± 3.1kcal/molG+TSWenthold, Paulino, et al., 1991gas phase; Between PhF, furan; B
Quantity Value Units Method Reference Comment
Δr378.5 ± 2.0kcal/molIMREAndrade and Riveros, 1996gas phase; B
Δr380.0 ± 2.1kcal/molH-TSWenthold and Squires, 1995gas phase; B
Δr379.5 ± 3.0kcal/molIMRBWenthold, Paulino, et al., 1991gas phase; Between PhF, furan; B
Δr379.0 ± 5.0kcal/molIMRBBartmess and McIver Jr., 1979gas phase; Between H2O, MeOH; B

Bromine anion + Benzene, chloro- = (Bromine anion • Benzene, chloro-)

By formula: Br- + C6H5Cl = (Br- • C6H5Cl)

Quantity Value Units Method Reference Comment
Δr11.1 ± 1.8kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B,M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr2.6 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
2.6423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

C6H7N+ + Benzene, chloro- = (C6H7N+ • Benzene, chloro-)

By formula: C6H7N+ + C6H5Cl = (C6H7N+ • C6H5Cl)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr11.7kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.0297.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

C9H12+ + Benzene, chloro- = (C9H12+ • Benzene, chloro-)

By formula: C9H12+ + C6H5Cl = (C9H12+ • C6H5Cl)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr11.4kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr27.cal/mol*KN/AMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
2.9300.PHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated; M

Nitric oxide anion + Benzene, chloro- = (Nitric oxide anion • Benzene, chloro-)

By formula: NO- + C6H5Cl = (NO- • C6H5Cl)

Quantity Value Units Method Reference Comment
Δr38.5kcal/molICRReents and Freiser, 1981gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

Benzene, chloro- + 1-Chloro-2,4-diisopropylbenzene = Benzene, 1-chloro-2-(1-methylethyl)- + Benzene, 1-chloro-4-(1-methylethyl)-

By formula: C6H5Cl + C12H17Cl = C9H11Cl + C9H11Cl

Quantity Value Units Method Reference Comment
Δr-0.20 ± 0.10kcal/molEqkNesterova, Rozhnov, et al., 1985liquid phase; ALS

Benzene, chloro- + 2,4-Di-t-butyl chlorobenzene = 1-Chloro-4-(1,1-dimethylethyl)benzene + Benzene, 1-tert-butyl-2-chloro-

By formula: C6H5Cl + C14H21Cl = C10H13Cl + C10H13Cl

Quantity Value Units Method Reference Comment
Δr-0.06 ± 0.17kcal/molEqkKovzel, Nesterova, et al., 1981liquid phase; ALS

Benzene, 1-chloro-2-(1-methylethyl)- + Benzene = Benzene, chloro- + Benzene, (1-methylethyl)-

By formula: C9H11Cl + C6H6 = C6H5Cl + C9H12

Quantity Value Units Method Reference Comment
Δr-0.14 ± 0.10kcal/molEqkNesterova, Rozhnov, et al., 1985liquid phase; ALS

Benzene, chloro- + Benzene, 1-chloro-3,5-bis(1,1-dimethylethyl)- = 2m-Tert-butyl chlorobenzene

By formula: C6H5Cl + C14H21Cl = 2C10H13Cl

Quantity Value Units Method Reference Comment
Δr0. ± 0.02kcal/molEqkKovzel, Nesterova, et al., 1981liquid phase; ALS

Benzene + Chlorine = Benzene, chloro- + Hydrogen chloride

By formula: C6H6 + Cl2 = C6H5Cl + HCl

Quantity Value Units Method Reference Comment
Δr-32.0kcal/molCmKirkbride, 1956liquid phase; ALS

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LL - Sharon G. Lias and Joel F. Liebman

View reactions leading to C6H5Cl+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.07 ± 0.02eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)180.0kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity173.2kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.08PEFujisawa, Ohno, et al., 1986LBLHLM
8.8PEKlasinc, Kovac, et al., 1983LBLHLM
9.07 ± 0.03PERuscic, Klasinc, et al., 1981LLK
9.10PEKimura, Katsumata, et al., 1981LLK
9.10 ± 0.02PEMohraz, Maier, et al., 1980LLK
9.10 ± 0.02PEMaier and Marthaler, 1978LLK
9.059 ± 0.008EQLias and Ausloos, 1978LLK
9.09PEBehan, Johnstone, et al., 1976LLK
9.55EIBaldwin, Loudon, et al., 1976LLK
9.07 ± 0.02PIPECOBaer, Tsai, et al., 1976LLK
9.1 ± 0.1EIGilbert, Leach, et al., 1973LLK
8.99EICooks, Bertrand, et al., 1973LLK
9.08 ± 0.01PISergeev, Akopyan, et al., 1970RDSH
9.035PIMomigny, Goffart, et al., 1968RDSH
9.05SQuemerais, Morlais, et al., 1967RDSH
9.07PIBralsford, Harris, et al., 1960RDSH
9.07 ± 0.02PIWatanabe, 1957RDSH
9.07PEKlasinc, Kovac, et al., 1983Vertical value; LBLHLM
9.067PEPotts, Lyus, et al., 1980Vertical value; LLK
9.08PESell and Kupperman, 1978Vertical value; LLK
9.07PEKlasinc, Novak, et al., 1978Vertical value; LLK
9.09PEStreets and Ceasar, 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C4H4+17.6 ± 0.1?EIMomigny, 1959RDSH
C6H4+14.9 ± 0.2HClEIMomigny, 1959RDSH
C6H5+11.81ClDERRipoche, Dimicoli, et al., 1991LL
C6H5+12.88 ± 0.05ClEIBurgers and Holmes, 1984LBLHLM
C6H5+13.1 ± 0.1ClEIBurgers and Holmes, 1984LBLHLM
C6H5+12.25 ± 0.04ClPIPECORosenstock, Stockbauer, et al., 1980LLK
C6H5+12.47 ± 0.06ClPIRosenstock, Stockbauer, et al., 1979LLK
C6H5+13.06ClPIPECOBaer, Tsai, et al., 1976LLK
C6H5+12.81ClEIJohnstone and Mellon, 1972LLK
C6H5+12.55 ± 0.07ClPISergeev, Akopyan, et al., 1970RDSH
C6H5+13.2 ± 0.1ClEIMajer and Patrick, 1962RDSH

De-protonation reactions

C6H4Cl- + Hydrogen cation = Benzene, chloro-

By formula: C6H4Cl- + H+ = C6H5Cl

Quantity Value Units Method Reference Comment
Δr391.0 ± 1.9kcal/molBranWenthold and Squires, 1995gas phase; B
Δr390.2 ± 2.1kcal/molG+TSWenthold and Squires, 1994gas phase; between furan, pyridine; B
Δr390.2 ± 2.1kcal/molG+TSWenthold, Paulino, et al., 1991gas phase; Between H2O, furan. Wenthold and Squires, 1994 indicates isomerization occuring.; B
Quantity Value Units Method Reference Comment
Δr382.8 ± 2.0kcal/molH-TSWenthold and Squires, 1995gas phase; B
Δr382.0 ± 2.0kcal/molIMRBWenthold and Squires, 1994gas phase; between furan, pyridine; B
Δr382.0 ± 2.0kcal/molIMRBWenthold, Paulino, et al., 1991gas phase; Between H2O, furan. Wenthold and Squires, 1994 indicates isomerization occuring.; B

C6H4Cl- + Hydrogen cation = Benzene, chloro-

By formula: C6H4Cl- + H+ = C6H5Cl

Quantity Value Units Method Reference Comment
Δr394.4 ± 1.3kcal/molBranWenthold and Squires, 1995gas phase; B
Δr389.7 ± 2.1kcal/molG+TSWenthold and Squires, 1994gas phase; between furan, pyridine; B
Δr389.7 ± 2.1kcal/molG+TSWenthold, Paulino, et al., 1991gas phase; Between H2O, furan. Wenthold and Squires, 1994 indicates isomerization occuring.; B
Quantity Value Units Method Reference Comment
Δr386.6 ± 1.4kcal/molH-TSWenthold and Squires, 1995gas phase; B
Δr382.0 ± 2.0kcal/molIMRBWenthold and Squires, 1994gas phase; between furan, pyridine; B
Δr382.0 ± 2.0kcal/molIMRBWenthold, Paulino, et al., 1991gas phase; Between H2O, furan. Wenthold and Squires, 1994 indicates isomerization occuring.; B

C6H4Cl- + Hydrogen cation = Benzene, chloro-

By formula: C6H4Cl- + H+ = C6H5Cl

Quantity Value Units Method Reference Comment
Δr386.7 ± 2.1kcal/molG+TSAndrade and Riveros, 1996gas phase; B
Δr388.2 ± 2.0kcal/molBranWenthold and Squires, 1995gas phase; B
Δr387.7 ± 3.1kcal/molG+TSWenthold, Paulino, et al., 1991gas phase; Between PhF, furan; B
Quantity Value Units Method Reference Comment
Δr378.5 ± 2.0kcal/molIMREAndrade and Riveros, 1996gas phase; B
Δr380.0 ± 2.1kcal/molH-TSWenthold and Squires, 1995gas phase; B
Δr379.5 ± 3.0kcal/molIMRBWenthold, Paulino, et al., 1991gas phase; Between PhF, furan; B
Δr379.0 ± 5.0kcal/molIMRBBartmess and McIver Jr., 1979gas phase; Between H2O, MeOH; B

IR Spectrum

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 compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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.
NIST MS number 1680

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Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillarySE-30160.859.3Santiuste, Harangi, et al., 2003 
CapillaryHP-5120.859.0Santiuste, Harangi, et al., 2003 
CapillaryHP-5120.853.8Santiuste J.M. and Takacs J.M., 200360. m/0.25 mm/0.25 μm, N2
CapillaryHP-5140.877.5Santiuste J.M. and Takacs J.M., 200360. m/0.25 mm/0.25 μm, N2
PackedC78, Branched paraffin130.865.0Dallos, Sisak, et al., 2000He; Column length: 3.3 m
CapillaryHP-10160.830.32Garay, 200050. m/0.2 mm/0.2 μm, H2
CapillarySPB-1140.834.Vezzani, Bertocchi, et al., 199830. m/0.32 mm/0.25 μm
CapillaryDB-5110.866.47Gerbino, Garbarino, et al., 199630. m/0.53 mm/1.5 μm, N2
CapillaryDB-570.850.16Gerbino, Garbarino, et al., 199630. m/0.53 mm/1.5 μm, N2
CapillaryDB-590.857.29Gerbino, Garbarino, et al., 199630. m/0.53 mm/1.5 μm, N2
PackedOV-101100.842.Righezza, Hassani, et al., 1996N2, Chromosorb G HP; Column length: 5. m
PackedOV-101110.850.Righezza, Hassani, et al., 1996N2, Chromosorb G HP; Column length: 5. m
PackedOV-10180.836.Righezza, Hassani, et al., 1996N2, Chromosorb G HP; Column length: 5. m
PackedOV-10190.838.8Righezza, Hassani, et al., 1996N2, Chromosorb G HP; Column length: 5. m
CapillaryOV-150.827.Villalobos, 199530. m/0.32 mm/0.96 μm
CapillarySE-300.815.Spieksma, Luijk, et al., 1994 
PackedOV-101120.850.3Hassani and Meklati, 1992N2, Chromosorb G HP; Column length: 5. m
PackedC78, Branched paraffin130.864.5Reddy, Dutoit, et al., 1992Chromosorb G HP; Column length: 3.3 m
PackedApolane130.866.Dutoit, 1991Column length: 3.7 m
CapillarySE-30160.832.Evans and Haken, 1989Column length: 25. m; Column diameter: 0.32 mm
CapillarySE-30160.840.Tarjan, Nyiredy, et al., 1989 
PackedApolane150.880.Evans and Haken, 1987He, Chromosorb G AW DCMS; Column length: 3.7 m
PackedApolane150.880.Haken and Vernon, 1986Chromosorb G AW DCMS; Column length: 3.7 m
PackedSE-30180.875.Oszczapowicz, Osek, et al., 1985N2, Chromosorb A AW; Column length: 3. m
PackedSE-30180.875.Oszczapowicz, Osek, et al., 1984N2, Chromosorb W AW; Column length: 3. m
PackedSE-30150.860.Tiess, 1984Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
CapillaryOV-330.849.6Chien, Furio, et al., 1983 
CapillaryOV-340.852.0Chien, Furio, et al., 1983 
CapillaryOV-350.854.6Chien, Furio, et al., 1983 
CapillaryOV-360.857.4Chien, Furio, et al., 1983 
CapillaryOV-370.860.3Chien, Furio, et al., 1983 
CapillaryOV-380.863.3Chien, Furio, et al., 1983 
CapillarySE-30120.832.Haken and Korhonene, 1983N2; Column length: 25. m; Column diameter: 0.22 mm
CapillarySE-30140.836.Haken and Korhonene, 1983N2; Column length: 25. m; Column diameter: 0.22 mm
CapillarySE-30160.840.Haken and Korhonene, 1983N2; Column length: 25. m; Column diameter: 0.22 mm
PackedSE-30100.844.Winskowski, 1983Gaschrom Q; Column length: 2. m
PackedApiezon L70.852.Jaworski, 1982Column length: 1.8 m
PackedSqualane100.869.Evans and Newton, 1976N2, Chromosorb G; Column length: 2. m
PackedSqualane100.870.Evans and Newton, 1976N2, Chromosorb G; Column length: 2. m
PackedSqualane100.870.Evans and Newton, 1976N2, Chromosorb G; Column length: 2. m
PackedApolane70.838.4Riedo, Fritz, et al., 1976He, Chromosorb; Column length: 2.4 m
CapillarySqualane60.814.Ryba, 1976Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane60.818.Ryba, 1976Column length: 50. m; Column diameter: 0.25 mm
PackedApiezon L100.871.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedSqualane100.826.3Evans and Smith, 1967H2/N2=3/1, Celite; Column length: 2. m
PackedSqualane100.830.Adlard, Evans, et al., 1965Ar, Celite; Column length: 1.2 m
PackedSqualane65.817.Adlard, Evans, et al., 1965Ar, Celite; Column length: 1.2 m
PackedSqualane78.821.Adlard, Evans, et al., 1965Ar, Celite; Column length: 1.2 m
PackedSqualane100.827.Adlard, Evans, et al., 1965Ar, Celite; Column length: 1.5 m
PackedSqualane65.814.Adlard, Evans, et al., 1965Ar, Celite; Column length: 1.5 m
PackedSqualane78.820.Adlard, Evans, et al., 1965Ar, Celite; Column length: 1.5 m
PackedSqualane100.826.Adlard, Evans, et al., 1965Mixture, Celite; Column length: 1.5 m
PackedSqualane65.815.Adlard, Evans, et al., 1965Mixture, Celite; Column length: 1.5 m
PackedSqualane78.819.Adlard, Evans, et al., 1965Mixture, Celite; Column length: 1.5 m
PackedSqualane100.833.Adlard, Evans, et al., 1965He, Celite; Column length: 0.9 m
PackedSqualane65.822.Adlard, Evans, et al., 1965He, Celite; Column length: 0.9 m
PackedSqualane78.826.Adlard, Evans, et al., 1965He, Celite; Column length: 0.9 m
PackedSqualane100.855.Adlard, Evans, et al., 1965N2, Celite; Column length: 0.9 m
PackedSqualane65.843.Adlard, Evans, et al., 1965N2, Celite; Column length: 0.9 m
PackedSqualane78.849.Adlard, Evans, et al., 1965N2, Celite; Column length: 0.9 m
PackedSqualane100.827.Adlard, Evans, et al., 1965He, Celite; Column length: 1. m
PackedSqualane65.815.Adlard, Evans, et al., 1965He, Celite; Column length: 1. m
PackedSqualane78.819.Adlard, Evans, et al., 1965He, Celite; Column length: 1. m
PackedSqualane100.834.Adlard, Evans, et al., 1965N2, Sterchamol; Column length: 4. m
PackedSqualane65.819.Adlard, Evans, et al., 1965N2, Sterchamol; Column length: 4. m
PackedSqualane78.825.Adlard, Evans, et al., 1965N2, Sterchamol; Column length: 4. m
PackedSqualane100.822.Adlard, Evans, et al., 1965H2, Celite; Column length: 0.9 m
PackedSqualane65.811.Adlard, Evans, et al., 1965H2, Celite; Column length: 0.9 m
PackedSqualane78.815.Adlard, Evans, et al., 1965H2, Celite; Column length: 0.9 m
PackedSqualane100.830.Adlard, Evans, et al., 1965 
PackedSqualane65.817.Adlard, Evans, et al., 1965 
PackedSqualane78.822.Adlard, Evans, et al., 1965 
PackedApiezon L130.885.Wehrli and Kováts, 1959Celite; Column length: 2.25 m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCBP-1833.Shimadzu, 200325. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C

Kovats' RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
PackedApiezon M877.9Jalali-Heravi and Garkani-Nejad, 1993Chromosorb W; Column length: 2. m; Program: not specified

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryZB-Wax120.1257.1Pérez-Parajón, Santiuste, et al., 200460. m/0.25 mm/0.25 μm
CapillaryZB-Wax140.1279.1Pérez-Parajón, Santiuste, et al., 200460. m/0.25 mm/0.25 μm
CapillaryCarbowax 20M50.1224.Villalobos, 199530. m/0.32 mm/0.54 μm, He
CapillaryCarbowax 20M160.1257.Evans and Haken, 1989Column length: 22. m; Column diameter: 0.3 mm
PackedCarbowax 20M150.1231.Haken and Vernon, 1986Chromosorb G AW DCMS; Column length: 3.7 m; Column diameter: 6.4 mm
CapillaryCarbowax 20M140.1257.Haken and Korhonene, 1983N2; Column length: 22. m; Column diameter: 0.3 mm
CapillaryCarbowax 20M160.1270.Haken and Korhonene, 1983N2; Column length: 22. m; Column diameter: 0.3 mm
PackedCarbowax 20M200.1270.Vernon and Suratman, 1983He, Silanized white support; Column length: 2. m
PackedCarbowax 20M75.1219.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-201213.Shimadzu, 200325. 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

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH831.2Censullo, Jones, et al., 200350. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillaryDB-1821.2Sun and Stremple, 200330. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C
CapillaryDB-5852.4Xu, van Stee, et al., 200330. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryOV-1826.5Gautzsch and Zinn, 19968. K/min; Tstart: 35. C; Tend: 300. C
CapillaryDB-5836.42Gerbino, Garbarino, et al., 199630. m/0.53 mm/1.5 μm, N2, 2. K/min; Tstart: 50. C
CapillaryDB-5837.68Gerbino, Garbarino, et al., 199630. m/0.53 mm/1.5 μm, N2, 2. K/min; Tstart: 50. C
CapillaryDB-5840.15Gerbino, Garbarino, et al., 199630. m/0.53 mm/1.5 μm, N2, 2. K/min; Tstart: 50. C
CapillaryDB-1825.3Helmig, Pollock, et al., 199630. m/0.25 mm/1. μm, 6. K/min; Tstart: -50. C; Tend: 180. C
CapillaryDB-1833.Gerbino and Castello, 199530. m/0.235 mm/0.25 μm, N2, 50. C @ 0. min, 10. K/min
CapillaryDB-1830.Gerbino and Castello, 199530. m/0.235 mm/0.25 μm, N2, 50. C @ 0. min, 5. K/min
CapillaryPetrocol DH825.White, Hackett, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillarySE-54852.Weber, 198625. m/0.31 mm/0.17 μm, H2, 2. K/min; Tstart: 35. C
PackedSE-30839.Buchman, Cao, et al., 1984He, Chromosorb AW, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m

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

View large format table.

Column type Active phase I Reference Comment
PackedSE-30839.Peng, Ding, et al., 1988Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1243.90Gerbino and Castello, 199530. m/0.235 mm/0.5 μm, N2, 10. K/min; Tstart: 100. C
CapillaryDB-Wax1240.38Gerbino and Castello, 199530. m/0.235 mm/0.5 μm, N2, 5. K/min; Tstart: 100. C
CapillaryDB-Wax1226.05Gerbino and Castello, 199530. m/0.235 mm/0.5 μm, N2, 10. K/min; Tstart: 50. C
CapillaryDB-Wax1220.51Gerbino and Castello, 199530. m/0.235 mm/0.5 μm, N2, 5. K/min; Tstart: 50. C
PackedCarbowax 20M1241.Buchman, Cao, et al., 1984He, Supelcoport, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryPolydimethyl siloxane105.844.Tello, Lebron-Aguilar, et al., 2009 
CapillaryPolydimethyl siloxane75.834.Tello, Lebron-Aguilar, et al., 2009 
CapillaryPolydimethyl siloxane90.839.Tello, Lebron-Aguilar, et al., 2009 
CapillaryMethyl Silicone100.842.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone120.849.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone140.856.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone80.835.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryDB-160.828.Shimadzu, 2003, 260. m/0.32 mm/1. μm, He
CapillaryE-301100.850.Bermejo, Moinelo, et al., 1980N2; Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane100.833.Bermejo, Moinelo, et al., 1980N2; Column length: 50. m; Column diameter: 0.25 mm
PackedDC-400150.880.Anderson, 1968Helium, Gas-Pak (60-80 mesh); Column length: 3.0 m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryUltra-ALLOY-5850.Tsuge, Ohtan, et al., 201130. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min
CapillaryHP-5844.Zenkevich, Moeder, et al., 200430. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 3. K/min, 280. C @ 20. min
CapillaryBP-1837.Health Safety Executive, 200050. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryHP-5835.Jung, Wichmann, et al., 199925. m/0.20 mm/0.33 μm, 50. C @ 3. min, 5. K/min; Tend: 180. C
CapillarySE-54864.Huang, Liang, et al., 199636. m/0.25 mm/0.25 μm, 5. K/min; Tstart: 35. C; Tend: 240. C
CapillaryOV-101841.Messadi and Ali-Mokhnache, 19932. K/min; Column length: 25. m; Column diameter: 0.20 mm; Tstart: 80. C
CapillaryOV-101842.Messadi and Ali-Mokhnache, 19932. K/min; Column length: 25. m; Column diameter: 0.20 mm; Tstart: 80. C
CapillaryOV-101846.Messadi and Ali-Mokhnache, 19932. K/min; Column length: 25. m; Column diameter: 0.20 mm; Tstart: 80. C
CapillaryOV-101850.Messadi and Ali-Mokhnache, 19932. K/min; Column length: 25. m; Column diameter: 0.20 mm; Tstart: 80. C
CapillaryOV-101834.Zenkevich and Tsibulskaya, 1989Helium, 75. C @ 0. min, 6. K/min, 220. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm
CapillaryOV-101839.Zenkevich and Tsibulskaya, 1989Helium, 75. C @ 0. min, 6. K/min, 220. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm

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

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane with 5 % Ph groups850.Robinson, Adams, et al., 2012Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups852.Robinson, Adams, et al., 2012Program: not specified
CapillaryOV-101850.Ebrahimi and Hadjmohammadi, 2006Program: not specified
CapillaryPolydimethyl siloxanes839.Zenkevich, Eliseenkov, et al., 2006Program: not specified
CapillaryMethyl Silicone855.N/AProgram: not specified
CapillarySPB-1844.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryPolydimethyl siloxanes839.Zenkevich and Chupalov, 1996Program: not specified
CapillaryDB-5880.Sorimachi, Tanabe, et al., 1995He; Column length: 30. m; Program: not specified
CapillaryDB-1824.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 μm; Program: not specified
CapillarySPB-1829.Vezzani, Moretti, et al., 1994Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
CapillarySPB-1844.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-1860.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: not specified
CapillaryCP Sil 8 CB852.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-101836.Zenkevich and Malamakhov, 1987He; Column length: 50. m; Column diameter: 0.24 mm; Program: not specified
CapillaryOV-1827.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.820.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.839.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.844.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1860.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-Wax60.1234.Shimadzu, 2003, 250. m/0.32 mm/1. μm, He
PackedPEG100.1202.Dowling, Evans, et al., 1990Phasesep W (10 %)
PackedPEG100.1233.Dowling, Evans, et al., 1990Phasesep W (10 %)

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1238.Shimadzu, 201230. m/0.32 mm/0.50 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 260. C
CapillaryDB-Wax1238.Shimadzu Corporation, 200330. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 260. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1209.le Pape, Grua-Priol, et al., 200430. m/0.32 mm/0.5 μm, He; Program: 40C => 1C/min => 57C => 15C/min => 230C (5min)
CapillarySuperox 0.6; Carbowax 20M1188.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillarySuperox 0.6; Carbowax 20M1205.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.1241.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCarbowax 20M1200.Ramsey and Flanagan, 1982Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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.

Platonov and Simulin, 1985
Platonov, V.A.; Simulin, Yu.N., Determination of the standard enthalpies of formation of polychlorobenzenes. III. The standard enthalpies of formation of mono-1,2,4- and 1,3,5-tri-, and 1,2,3,4- and 1,2,3,5-tetrachlorobenzenes, Russ. J. Phys. Chem. (Engl. Transl.), 1985, 59, 179-181. [all data]

Kolesov, Tomareva, et al., 1967
Kolesov, V.P.; Tomareva, E.M.; Skuratov, S.M.; Alekhin, S.P., Calorimeter having a rotating bomb for determining heats of combustion of chlorinated organic compounds, Russ. J. Phys. Chem. (Engl. Transl.), 1967, 41, 817-820. [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]

Hubbard, Knowlton, et al., 1954
Hubbard, W.N.; Knowlton, J.W.; Huffman, H.M., Combustion calorimetry of organic chlorine compounds. Heats of combustion of chlorobenzene, the dichlorobenzenes and o- and p-chloroethylbenzene, J. Phys. Chem., 1954, 58, 396. [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]

Stull, 1937
Stull, D.R., A semi-micro calorimeter for measuring heat capacities at low temperatures, J. Am. Chem. Soc., 1937, 59, 2726-2733. [all data]

Shehatta, 1993
Shehatta, I., Heat capacity at constant pressure of some halogen compounds, Thermochim. Acta, 1993, 213, 1-10. [all data]

Perez-Casas, Aicart, et al., 1988
Perez-Casas, S.; Aicart, E.; Trojo, L.M.; Costas, M., Excess heat capacity. Chlorobenzene-2,2,4,4,6,8,8-heptamethylnonane, Int. Data Ser., Sel. Data Mixtures, 1988, (2)A, 123. [all data]

Reddy, 1986
Reddy, K.S., Isentropic compressibilities of binary liquid mixtures at 303.15 and 313.15 K, J. Chem. Eng. Data, 1986, 31, 238-240. [all data]

Fortier and Benson, 1977
Fortier, J.-L.; Benson, G.C., Excess heat capacities of binary mixtures of tetrachloromethane witlh some aromatic liquids at 298.15 K, J. Chem. Thermodynam., 1977, 9, 1181-1188. [all data]

Deshpande and Bhatagadde, 1971
Deshpande, D.D.; Bhatagadde, L.G., Heat capacities at constant volume, free volumes, and rotational freedom in some liquids, Aust. J. Chem., 1971, 24, 1817-1822. [all data]

Phillip, 1939
Phillip, N.M., Adiabatic and isothermal compressibilities of liquids, Proc. Indian Acad. Sci., 1939, A9, 109-120. [all data]

Williams and Daniels, 1925
Williams, J.W.; Daniels, F., The specific heats of binary mixtures, J. Am. Chem. Soc., 1925, 47, 1490-1503. [all data]

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]

Andrews and Haworth, 1928
Andrews, D.H.; Haworth, E., An application of the rule of Dulong and Petit to molecules, J. Am. Chem. Soc., 1928, 50, 2998-3002. [all data]

Stull, 1937, 2
Stull, D.R., A Semi-micro Calorimeter for Measuring Heat Capacities at Low Temp., J. Am. Chem. Soc., 1937, 59, 2726. [all data]

Young, 1910
Young, S., The Internal Heat of Vaporization constants of thirty pure substances, Sci. Proc. R. Dublin Soc., 1910, 12, 374. [all data]

Livingston, Morgan, et al., 1908
Livingston, J.; Morgan, R.; Higgins, E., The Weight of Falling Drops and Tate's Laws. Determination of Molecular Weights and Critical Temp. of Liquids Using Drop Weights: II., Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1908, 64, 170. [all data]

Altschul, 1893
Altschul, M., The critical values of some organic compounds, Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1893, 11, 577. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Liu and Dickhut, 1994
Liu, Kewen; Dickhut, Rebecca M., Saturation vapor pressures and thermodynamic properties of benzene and selected chlorinated benzenes at environmental temperatures, Chemosphere, 1994, 29, 3, 581-589, https://doi.org/10.1016/0045-6535(94)90445-6 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Brown, 1952
Brown, I., Aust. J. Sci. Res., Ser. A, 1952, 5, 530. [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Zibberman-Granovskaya, 1940
Zibberman-Granovskaya, A.A., Russ. J. Phys. Chem., 1940, 14, 759. [all data]

Brown, 1952, 2
Brown, I., Liquid-Vapour Equilibria. III. The Systems Benzene-n-Heptane, n-Hexane-Chlorobenzene, and cycloHexane-Nitrobenzene, Aust. J. Sci. Res. Ser. A:, 1952, 5, 530-540. [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]

Sieck, 1985
Sieck, L.W., Thermochemistry of Solvation of NO2- and C6H5NO2- by Polar Molecules in the Vapor Phase. Comparison with Cl- and Variation with Ligand Structure., J. Phys. Chem., 1985, 89, 25, 5552, https://doi.org/10.1021/j100271a049 . [all data]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Gas phase negative ion chemistry of alkylchloroformates, Can. J. Chem., 1984, 62, 675. [all data]

Paul and Kebarle, 1991
Paul, G.J.C.; Kebarle, P., Stabilities of Complexes of Br- with Substituted Benzenes (SB) Based on Determinations of the Gas-Phase Equilibria Br- + SB = (BrSB)-, J. Am. Chem. Soc., 1991, 113, 4, 1148, https://doi.org/10.1021/ja00004a014 . [all data]

French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-, Can. J. Chem., 1982, 60, 1907. [all data]

Wenthold and Squires, 1995
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Notes

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