Benzene, 1,4-dichloro-
- Formula: C6H4Cl2
- Molecular weight: 147.002
- IUPAC Standard InChIKey: OCJBOOLMMGQPQU-UHFFFAOYSA-N
- CAS Registry Number: 106-46-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: Benzene, p-dichloro-; p-Chlorophenyl chloride; p-Dichlorobenzene; Di-chloricide; Evola; Paradi; Paradow; Paramoth; Persia-Perazol; PDB; Santochlor; 1,4-Dichlorobenzene; p-Dichlorobenzol; Paradichlorobenzol; para-Dichlorobenzene; p-Dichloorbenzeen; p-Dichlorbenzol; p-Diclorobenzene; Dichlorobenzene; Dichlorobenzene, p-; NCI-C54955; para crystals; Paracide; Paranuggets; Parazene; 1,4-Dichloorbenzeen; 1,4-Dichlor-benzol; 1,4-Diclorobenzene; Dichlorobenzene, para; Globol; Paradichlorbenzol; Rcra waste number U070; Rcra waste number U071; Rcra waste number U072; UN 1592; Dichlorocide; Kaydox; p-Dichlorbenzene; NSC 36935; 1,4-chlorobenzene
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Condensed phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled 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 |
---|---|---|---|---|---|
ΔcH°liquid | -2937. ± 4. | kJ/mol | Ccb | Smith, Bjellerup, et al., 1953 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°solid | -42.3 ± 1.0 | kJ/mol | Ccb | Hubbard, Knowlton, et al., 1954 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -2939.9 | kJ/mol | Ccr | Platonov and Simulin, 1984 | ALS |
ΔcH°solid | -2934.1 ± 1.0 | kJ/mol | Ccb | Hubbard, Knowlton, et al., 1954 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 175.41 | J/mol*K | N/A | Dworkin, Figuiere, et al., 1976 | crystaline, II phase; DH |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
98. | 180. | Martin and Monti, 1988 | T = 30 to 180 K. Data given graphically, and estimated from graph.; DH |
147.76 | 298.15 | Dworkin, Figuiere, et al., 1976 | crystaline, II phase; T = 20 to 330 K.; DH |
142.7 | 298.15 | Ueberreiter and Orthmann, 1950 | T = 293 to 368 K. Equation only.; DH |
172.0 | 299.8 | Andrews and Haworth, 1928 | T = 101 to 336 K. Value is unsmoothed experimental datum.; DH |
147.6 | 298. | Narbutt, 1918 | T = 194 to 372 K. Average specific heat over the temperature range 2.6 to 51.6 °C is 0.2400 cal/g*K.; DH |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 447.3 ± 0.6 | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 326.1 ± 0.8 | K | AVG | N/A | Average of 26 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 326.150 | K | N/A | Dworkin, Figuiere, et al., 1976, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 54.8 | kJ/mol | GC | Spieksma, Luijk, et al., 1994 | Based on data from 413. to 453. K.; AC |
ΔvapH° | 47.8 | kJ/mol | N/A | Boublik, Fried, et al., 1984 | Based on data from 370. to 450. K. See also Basarová and Svoboda, 1991.; AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 64.75 ± 0.15 | kJ/mol | DM | Oonk, van Genderen, et al., 2000 | AC |
ΔsubH° | 65.2 ± 2.0 | kJ/mol | C | An and Zheng, 1989 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
46.4 | 326. | N/A | Rohác, Ruzicka, et al., 1999 | AC |
44.2 | 373. | EB | Rohác, Ruzicka, et al., 1998 | Based on data from 358. to 448. K.; AC |
45.0 | 356. | A | Stephenson and Malanowski, 1987 | Based on data from 341. to 448. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference |
---|---|---|---|---|
341.12 to 447.21 | 4.123 | 1575.11 | -64.637 | McDonald, Shrader, et al., 1959 |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
53.1 | 258. to 313. | N/A | Liu and Dickhut, 1994 | AC |
65.4 | 313. | GS | Shaub, 1985 | Based on data from 303. to 423. K.; AC |
64.8 ± 0.4 | 303. | V | Walsh and Smith, 1961 | ALS |
64.8 ± 0.8 | 303. | N/A | Walsh and Smith, 1961, 2 | Based on data from 293. to 311. K. See also Cox and Pilcher, 1970.; AC |
63. ± 0.4 | 318. | N/A | Walsh and Smith, 1961, 2 | Based on data from 311. to 325. K.; AC |
56.9 | 275. | ME | Darkis, Vermillion, et al., 1940 | Based on data from 248. to 303. K. See also Jones, 1960.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
18.19 | 326.2 | DSC | Wei and Jin, 2009 | See also Wei, 2008.; AC |
17.91 | 326.2 | AC | van der Linde, van Miltenburg, et al., 2005 | Based on data from 5. to 380. K.; AC |
18.16 | 326. | N/A | Acree, 1991 | AC |
18.050 | 326.15 | N/A | Booss and Hauschildt, 1972 | DH |
18.160 | 326. | N/A | Ueberreiter and Orthmann, 1950 | DH |
18.144 | 326.05 | N/A | Narbutt, 1918 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
55.3 | 326.15 | Booss and Hauschildt, 1972 | DH |
55.7 | 326. | Ueberreiter and Orthmann, 1950 | DH |
55.6 | 326.05 | Narbutt, 1918 | DH |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.200 | 304.0 | crystaline, II | crystaline, I | Petropavlov, Tsygankova, et al., 1988 | DH |
1.256 | 271.77 | crystaline, III | crystaline, II | Dworkin, Figuiere, et al., 1976 | DH |
0.2145 | 304.35 | crystaline, II | crystaline, I | Dworkin, Figuiere, et al., 1976 | DH |
18.187 | 326.14 | crystaline, I | liquid | Dworkin, Figuiere, et al., 1976 | DH |
1.256 | 271.77 | crystaline, III | crystaline, II | Dworkin, Figuiere, et al., 1975 | DH |
0.2145 | 304.35 | crystaline, II | crystaline, I | Dworkin, Figuiere, et al., 1975 | DH |
18.187 | 326.14 | crystaline, I | liquid | Dworkin, Figuiere, et al., 1975 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.6 | 304.0 | crystaline, II | crystaline, I | Petropavlov, Tsygankova, et al., 1988 | DH |
4.62 | 271.77 | crystaline, III | crystaline, II | Dworkin, Figuiere, et al., 1976 | DH |
0.705 | 304.35 | crystaline, II | crystaline, I | Dworkin, Figuiere, et al., 1976 | DH |
55.76 | 326.14 | crystaline, I | liquid | Dworkin, Figuiere, et al., 1976 | DH |
4.62 | 271.77 | crystaline, III | crystaline, II | Dworkin, Figuiere, et al., 1975 | DH |
0.705 | 304.35 | crystaline, II | crystaline, I | Dworkin, Figuiere, et al., 1975 | DH |
55.76 | 326.14 | crystaline, I | liquid | Dworkin, Figuiere, et al., 1975 | DH |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 8.92 ± 0.03 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°(+) ion | 883.2 | kJ/mol | N/A | N/A | |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH(+) ion,0K | 895.8 | kJ/mol | N/A | N/A |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.95 | PE | Fujisawa, Oonishi, et al., 1991 | LL |
8.92 ± 0.02 | PIPECO | Olesik, Baer, et al., 1986 | LBLHLM |
8.97 ± 0.03 | PE | Ruscic, Klasinc, et al., 1981 | LLK |
8.94 | PE | Kimura, Katsumata, et al., 1981 | LLK |
8.98 ± 0.02 | PE | Maier and Marthaler, 1978 | LLK |
8.89 ± 0.01 | EQ | Lias and Ausloos, 1978 | LLK |
8.94 ± 0.01 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
8.95 | PI | Bralsford, Harris, et al., 1960 | RDSH |
8.988 | PE | Potts, Lyus, et al., 1980 | Vertical value; LLK |
9.00 | PE | Streets and Ceasar, 1973 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C6H4Cl+ | 13.2 ± 0.1 | Cl | EI | Brown, 1970 | RDSH |
De-protonation reactions
C6H3Cl2- + =
By formula: C6H3Cl2- + H+ = C6H4Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1577. ± 8.8 | kJ/mol | G+TS | Schlosser, Marzi, et al., 2001 | gas phase; Acid: p-dichlorobenzene.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1543. ± 8.4 | kJ/mol | IMRE | Schlosser, Marzi, et al., 2001 | gas phase; Acid: p-dichlorobenzene.; B |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Chuck Anderson, Aldrich Chemical Co. |
NIST MS number | 107698 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
Platonov and Simulin, 1984
Platonov, V.A.; Simulin, Yu.N.,
Experimental determination of the standard enthalpies of formation of polychlorobenzenes. II. Standard enthalpies of formation of dichlorobenzenes,
Russ. J. Phys. Chem. (Engl. Transl.), 1984, 58, 1630-1632. [all data]
Dworkin, Figuiere, et al., 1976
Dworkin, A.; Figuiere, P.; Ghelfenstein, M.; Szwarc, H.,
Heat capacities, enthalpies of transition, and thermodynamic properties of the three solid phases of p-dichlorobenzene from 20 to 330 K,
J. Chem. Thermodynam., 1976, 8, 835-844. [all data]
Martin and Monti, 1988
Martin, C.A.; Monti, G.A.,
Dynamical analysis of the specific heat in p-dichlorobenzene,
Thermochim. Acta, 1988, 134, 35-39. [all data]
Ueberreiter and Orthmann, 1950
Ueberreiter, K.; Orthmann, H.-J.,
Specifische Wärme, spezifisches Volumen, Temperatur- und Wärme-leittähigkeit einiger disubstituierter Benzole und polycyclischer Systeme,
Z. Natursforsch. 5a, 1950, 101-108. [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]
Narbutt, 1918
Narbutt, J.,
Die Spezifischen Warmen und Schmelzwarmen der dichloro-, chlorbrom-, dibrom-, bromjod-, und dijodbenzole. I,
Z. Elektrochem., 1918, 24, 339-342. [all data]
Dworkin, Figuiere, et al., 1976, 2
Dworkin, A.; Figuiere, P.; Ghelfenstein, M.; Szwarc, H.,
Heat Capacities, Enthalpies of Transition, and Thermodynamic Properties of the Three Solid Phases of p-Dichlorobenzene from 20 to 330 K,
J. Chem. Thermodyn., 1976, 8, 835-44. [all data]
Spieksma, Luijk, et al., 1994
Spieksma, Walter; Luijk, Ronald; Govers, Harrie A.J.,
Determination of the liquid vapour pressure of low-volatility compounds from the Kováts retention index,
Journal of Chromatography A, 1994, 672, 1-2, 141-148, https://doi.org/10.1016/0021-9673(94)80602-0
. [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]
Basarová and Svoboda, 1991
Basarová, Pavlína; Svoboda, Václav,
Calculation of heats of vaporization of halogenated hydrocarbons from saturated vapour pressure data,
Fluid Phase Equilibria, 1991, 68, 13-34, https://doi.org/10.1016/0378-3812(91)85008-I
. [all data]
Oonk, van Genderen, et al., 2000
Oonk, Harry A.J.; van Genderen, Aad C.G.; Blok, Jacobus G.; van der Linde, Peter R.,
Vapour pressures of crystalline and liquid 1,4-dibromo- and 1,4-dichlorobenzene; lattice energies of 1,4-dihalobenzenes,
Phys. Chem. Chem. Phys., 2000, 2, 24, 5614-5618, https://doi.org/10.1039/b005324o
. [all data]
An and Zheng, 1989
An, Xuwu; Zheng, Xiaolin,
Determination of Standard Enthalpies of Vaporization and Sublimation of Three Dichlorobenzenes,
Acta Phys. Chim. Sin., 1989, 5, 4, 487-491, https://doi.org/10.3866/PKU.WHXB19890421
. [all data]
Rohác, Ruzicka, et al., 1999
Rohác, Vladislav; Ruzicka, Vlastimil; Ruzicka, Kvetoslav; Polednicek, Milos; Aim, Karel; Jose, Jacques; Zábranský, Milan,
Recommended vapour and sublimation pressures and related thermal data for chlorobenzenes,
Fluid Phase Equilibria, 1999, 157, 1, 121-142, https://doi.org/10.1016/S0378-3812(99)00003-5
. [all data]
Rohác, Ruzicka, et al., 1998
Rohác, Vladislav; Ruzicka, Vlastimil; Ruzicka, Kvetoslav; Aim, Karel,
Measurements of Saturated Vapor Pressure above the Liquid Phase for Isomeric Dichlorobenzenes and 1,2,4-Trichlorobenzene,
J. Chem. Eng. Data, 1998, 43, 5, 770-775, https://doi.org/10.1021/je9701442
. [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]
McDonald, Shrader, et al., 1959
McDonald, R.A.; Shrader, S.A.; Stull, D.R.,
Vapor Pressures and Freezing Points of Thirty Pure Organic Compounds.,
J. Chem. Eng. Data, 1959, 4, 4, 311-313, https://doi.org/10.1021/je60004a009
. [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]
Shaub, 1985
Shaub, W.M.,
Containment of dioxin emissions from refuse fired thermal processing units - prospects and technical issues,
Thermochimica Acta, 1985, 85, 435-438, https://doi.org/10.1016/0040-6031(85)85614-8
. [all data]
Walsh and Smith, 1961
Walsh, P.N.; Smith, N.O.,
Sublimation pressure of a-p-dichloro-,β-p-dichloro-, p-dibromo-, and p-bromochlorobenzene,
J. Chem. Eng. Data, 1961, 6, 33. [all data]
Walsh and Smith, 1961, 2
Walsh, P.N.; Smith, N.O.,
Sublimation Pressure of α-p-Dichloro-β-p-Dichloro, and p-Dibromo-, and p-Bromochlorobenzene.,
J. Chem. Eng. Data, 1961, 6, 1, 33-35, https://doi.org/10.1021/je60009a010
. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]
Darkis, Vermillion, et al., 1940
Darkis, F.R.; Vermillion, H.E.; Gross, P.M.,
p--Dichlorobenzene as a Vapor Fumigant Physical and Chemical Studies,
Ind. Eng. Chem., 1940, 32, 7, 946-949, https://doi.org/10.1021/ie50367a018
. [all data]
Jones, 1960
Jones, A.H.,
Sublimation Pressure Data for Organic Compounds.,
J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019
. [all data]
Wei and Jin, 2009
Wei, Dongwei; Jin, Kexin,
(Solid+liquid) equilibria of (naphthalene+isomeric dichlorobenzenes),
The Journal of Chemical Thermodynamics, 2009, 41, 2, 145-149, https://doi.org/10.1016/j.jct.2008.10.005
. [all data]
Wei, 2008
Wei, Dongwei,
(Solid+liquid) equilibria of (phenanthrene+dichlorobenzenes),
Thermochimica Acta, 2008, 479, 1-2, 32-36, https://doi.org/10.1016/j.tca.2008.09.010
. [all data]
van der Linde, van Miltenburg, et al., 2005
van der Linde, Peter R.; van Miltenburg, J. Cees; van den Berg, Gerrit J.K.; Oonk, Harry A.J.,
Low-Temperature Heat Capacities and Derived Thermodynamic Functions of 1,4-Dichlorobenzene, 1,4-Dibromobenzene, 1,3,5-Trichlorobenzene, and 1,3,5-Tribromobenzene,
J. Chem. Eng. Data, 2005, 50, 1, 164-172, https://doi.org/10.1021/je049762q
. [all data]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Booss and Hauschildt, 1972
Booss, H.J.; Hauschildt, K.R.,
Die Schmelzenthalpie des Benzils und 4-Nitrophenols,
Z. Anal. Chem., 1972, 261(1), 32. [all data]
Petropavlov, Tsygankova, et al., 1988
Petropavlov, N.N.; Tsygankova, I.G.; Teslenko, L.A.,
Microcalorimetric investigation of polymorphic transitions in organic crystals,
Sov. Phys. Crystallogr., 1988, 33(6), 853-855. [all data]
Dworkin, Figuiere, et al., 1975
Dworkin, A.; Figuiere, P.; Ghelfenstein, M.; Szwarc, H.,
Thermodynamic properties of the three solid phases of p-dichlorobenzene,
Quatrieme Conference International de Thermodynamique Chimique, 1975, II, Thermophysique (capacites thermiques) pp. [all data]
Fujisawa, Oonishi, et al., 1991
Fujisawa, S.; Oonishi, I.; Masuda, S.; Ohno, K.; Harada, Y.,
Penning ionization electron spectroscopy of dichlorobenzenes,
J. Phys. Chem., 1991, 95, 4250. [all data]
Olesik, Baer, et al., 1986
Olesik, S.; Baer, T.; Morrow, J.C.,
Dissociation rates of energy-selected dichloro- and dibromobenzene ions,
J. Phys. Chem., 1986, 90, 3563. [all data]
Ruscic, Klasinc, et al., 1981
Ruscic, B.; Klasinc, L.; Wolf, A.; Knop, J.V.,
Photoelectron spectra of and Ab initio calculations on chlorobenzenes. 1. Chlorobenzene and dichlorobenzenes,
J. Phys. Chem., 1981, 85, 1486. [all data]
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]
Maier and Marthaler, 1978
Maier, J.P.; Marthaler, O.,
Emission spectra of the radical cations of 1,3-dichlorobenzene, 1,4-dichlorobenzene and 1,3,5-trichlorobenzene in the gas phase,
Chem. Phys., 1978, 32, 419. [all data]
Lias and Ausloos, 1978
Lias, S.G.; Ausloos, P.J.,
eIonization energies of organic compounds by equilibrium measurements,
J. Am. Chem. Soc., 1978, 100, 6027. [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]
Bralsford, Harris, et al., 1960
Bralsford, R.; Harris, P.V.; Price, W.C.,
The effect of fluorine on the electronic spectra and ionization potentials of molecules,
Proc. Roy. Soc. (London), 1960, A258, 459. [all data]
Potts, Lyus, et al., 1980
Potts, A.W.; Lyus, M.L.; Lee, E.P.F.; Fattahallah, G.H.,
High resolution ultraviolet photoelectron spectra of C6H5X and p-C6H4X2 where X = Cl, Br or I,
J. Chem. Soc. Faraday Trans. 2, 1980, 76, 556. [all data]
Streets and Ceasar, 1973
Streets, D.G.; Ceasar, G.P.,
Inductive mesomeric effects on the π orbitals of halobenzenes,
Mol. Phys., 1973, 26, 1037. [all data]
Brown, 1970
Brown, P.,
Kinetic studies in mass spectrometry-IV. The [M - Cl] reaction in substituted chlorobenzenes and the question of molecular ion isomerization,
Org. Mass Spectrom., 1970, 3, 639. [all data]
Schlosser, Marzi, et al., 2001
Schlosser, M.; Marzi, E.; Cottet, F.; Buker, H.H.; Nibbering, N.M.M.,
The acidity of chloro-substituted benzenes: A comparison of gas phase, ab initio, and kinetic data,
Chem. Eur. J., 2001, 7, 16, 3511-3516, https://doi.org/10.1002/1521-3765(20010817)7:16<3511::AID-CHEM3511>3.0.CO;2-U
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy Cp,solid Constant pressure heat capacity of solid IE (evaluated) Recommended ionization energy S°solid,1 bar Entropy of solid at standard conditions (1 bar) Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH(+) ion,0K Enthalpy of formation of positive ion at 0K ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.