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Ethyl bromide

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Gas phase thermochemistry data

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

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-15.2kcal/molCmKudchadker and Kudchadker, 1979 
Deltafgas-15.6 ± 1.5kcal/molChydAshcroft, Carson, et al., 1965 
Deltafgas-14.79 ± 0.24kcal/molChydFowell, Lacher, et al., 1965 
Deltafgas-15.45 ± 0.50kcal/molEqkLane, Linnett, et al., 1953 

Condensed phase thermochemistry data

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

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-22.83 ± 0.50kcal/molChydAshcroft, Carson, et al., 1965Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -23.0 ± 1.5 kcal/mol; ALS

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
25.29298.15Shehatta, 1993DH
24.09298.Kurbatov, 1948T = -50 to 37°C; mean Cp, five temperatures.; DH

Phase change data

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

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil311.5 ± 0.4KAVGN/AAverage of 15 out of 16 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus155. ± 2.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tc503.8KN/AMajer and Svoboda, 1985 
Tc503.95KN/AHerz and Neukirch, 1923Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Pc61.5000atmN/AHerz and Neukirch, 1923Uncertainty assigned by TRC = 0.8000 atm; TRC
Quantity Value Units Method Reference Comment
rhoc4.65mol/lN/AHerz and Neukirch, 1923Uncertainty assigned by TRC = 0.03 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap6.754kcal/molN/AMajer and Svoboda, 1985 
Deltavap6.6 ± 0.3kcal/molVLane, Linnett, et al., 1953Heat of formation derived by Cox and Pilcher, 1970; ALS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
6.463311.6N/AMajer and Svoboda, 1985 
6.43349.AStephenson and Malanowski, 1987Based on data from 334. - 504. K.; AC
6.36341.AStephenson and Malanowski, 1987Based on data from 326. - 454. K.; AC
7.41467.AStephenson and Malanowski, 1987Based on data from 452. - 503. K.; AC
7.31240.EStephenson and Malanowski, 1987Based on data from 225. - 333. K. See also Li and Rossini, 1961 and Dykyj, 1970.; AC
6.60 ± 0.02305.CSvoboda, Majer, et al., 1977AC
6.45 ± 0.02312.CSvoboda, Majer, et al., 1977AC
6.26 ± 0.02323.CSvoboda, Majer, et al., 1977AC
6.67316.N/AZmaczynski, 1930Based on data from 301. - 348. K. See also Boublik, Fried, et al., 1984.; AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kcal/mol) beta Tc (K) Reference Comment
305. - 323.11.800.3807503.8Majer and Svoboda, 1985 

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
301.29 - 348.514.106701121.371-38.478Zmaczynski, 1930, 2Coefficents calculated by NIST from author's data.

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


Reaction thermochemistry data

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

Data compiled 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

Bromine anion + Ethyl bromide = (Bromine anion bullet Ethyl bromide)

By formula: Br- + C2H5Br = (Br- bullet C2H5Br)

Quantity Value Units Method Reference Comment
Deltar12.0 ± 1.0kcal/molTDAsLi, Ross, et al., 1996gas phase; B
Deltar11.60kcal/molTDAsDougherty, 1974gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar19.2cal/mol*KHPMSDougherty, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar5.90 ± 0.20kcal/molTDAsLi, Ross, et al., 1996gas phase; B
Deltar5.90kcal/molTDAsDougherty, 1974gas phase; B

Chlorine anion + Ethyl bromide = (Chlorine anion bullet Ethyl bromide)

By formula: Cl- + C2H5Br = (Cl- bullet C2H5Br)

Quantity Value Units Method Reference Comment
Deltar13.6 ± 1.0kcal/molTDAsLi, Ross, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Deltar6.92 ± 0.20kcal/molTDAsLi, Ross, et al., 1996gas phase; B

Ethyl bromide = Hydrogen bromide + Ethylene

By formula: C2H5Br = HBr + C2H4

Quantity Value Units Method Reference Comment
Deltar19.20 ± 0.50kcal/molEqkLane, Linnett, et al., 1953gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 19.1 kcal/mol; ALS

Hydrogen + Ethyl bromide = Hydrogen bromide + Ethane

By formula: H2 + C2H5Br = HBr + C2H6

Quantity Value Units Method Reference Comment
Deltar-14.11 ± 0.27kcal/molChydFowell, Lacher, et al., 1965gas phase; ALS

Hydrogen + 2Ethyl bromide = 2Ethane + Bromine

By formula: H2 + 2C2H5Br = 2C2H6 + Br2

Quantity Value Units Method Reference Comment
Deltar5.6 ± 3.0kcal/molChydAshcroft, Carson, et al., 1965liquid phase; ALS

Henry's Law data

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

Data compiled by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.13 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.13 VN/A 

Gas phase ion energetics data

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

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
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

View reactions leading to C2H5Br+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.29 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)166.4kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity160.1kcal/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

Proton affinity (kcal/mol) Reference Comment
163.6 ± 0.38Bouchoux, Caunan, et al., 2001T = 300K; MM

Gas basicity at 298K

Gas basicity (review) (kcal/mol) Reference Comment
157.9 ± 0.38Bouchoux, Caunan, et al., 2001T = 300K; MM

Protonation entropy at 298K

Protonation entropy (cal/mol*K) Reference Comment
6.98Bouchoux, Caunan, et al., 2001T = 300K; MM

Ionization energy determinations

IE (eV) Method Reference Comment
10.31ESTLuo and Pacey, 1992LL
10.2PEOhno, Imai, et al., 1985LBLHLM
10.30PEKimura, Katsumata, et al., 1981LLK
10.24 ± 0.03EIJohnstone, Mellon, et al., 1970RDSH
10.30 ± 0.015PEHashmall and Heilbronner, 1970RDSH
10.29 ± 0.01PIWatanabe, 1957RDSH
10.29 ± 0.02SPrice, 1936RDSH
10.30PEOhno, Imai, et al., 1985Vertical value; LBLHLM
10.30PEKimura, Katsumata, et al., 1981Vertical value; LLK
10.29PEUtsunomiya, Kobayashi, et al., 1980Vertical value; LLK
10.28PEHoppilliard and Solgadi, 1980Vertical value; LLK
10.28PEKimura, Katsumata, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Br+18.6 ± 0.3?EIIrsa, 1957RDSH
CH2Br+14.1 ± 0.1CH3EIIrsa, 1957RDSH
CH3+16.9 ± 0.3?EIIrsa, 1957RDSH
C2H5+11.21 ± 0.05BrPIPECOMiller and Baer, 1984T = 0K; LBLHLM
C2H5+11.05 ± 0.01BrPITraeger and McLoughlin, 1981T = 298K; LLK
C2H5+11.14BrPITraeger and McLoughlin, 1981T = 0K; LLK
C2H5+10.72 ± 0.08BrEIJohnstone and Mellon, 1972LLK
C2H5+11.15BrEIGrutzmacher, 1970RDSH

Ion clustering data

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

Data compiled as indicated in comments:
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

Bromine anion + Ethyl bromide = (Bromine anion bullet Ethyl bromide)

By formula: Br- + C2H5Br = (Br- bullet C2H5Br)

Quantity Value Units Method Reference Comment
Deltar12.0 ± 1.0kcal/molTDAsLi, Ross, et al., 1996gas phase; B
Deltar11.60kcal/molTDAsDougherty, 1974gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar19.2cal/mol*KHPMSDougherty, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar5.90 ± 0.20kcal/molTDAsLi, Ross, et al., 1996gas phase; B
Deltar5.90kcal/molTDAsDougherty, 1974gas phase; B

Chlorine anion + Ethyl bromide = (Chlorine anion bullet Ethyl bromide)

By formula: Cl- + C2H5Br = (Cl- bullet C2H5Br)

Quantity Value Units Method Reference Comment
Deltar13.6 ± 1.0kcal/molTDAsLi, Ross, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Deltar6.92 ± 0.20kcal/molTDAsLi, Ross, et al., 1996gas phase; B

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

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

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

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1994
NIST MS number 133179

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


Vibrational and/or electronic energy levels

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

Data compiled by: Takehiko Shimanouchi

Symmetry:   Cs     Symmetry Number sigma = 1


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

a' 1 CH3 d-str 2988  C 2988 S gas 2971 p liq. OV(«nu»13)
a' 2 CH2 s-str 2937  B 2936.5 S gas 2924 p liq.
a' 3 CH3 s-str 2880  B 2879.8 S gas
a' 4 CH2 scis 1451  D 1451 M gas 1442 dp liq. OV(«nu»5+«nu»14)
a' 5 CH3 d-deform 1451  D 1451 M gas 1442 dp liq. OV(«nu»4+«nu»14)
a' 6 CH3 s-deform 1386  B 1386 M gas
a' 7 CH2 wag 1252  E 1258 VS gas 1248 p liq. FR(«nu»9+«nu»11)
a' 7 CH2 wag 1252  E 1247 VS gas 1248 p liq. FR(«nu»9+«nu»11)
a' 8 CH3 rock 1061  D 1061 VW gas 1069 p liq.
a' 9 CC str 964  B 964 S gas 960 dp liq. OV(«nu»15)
a' 10 CBr str 583  B 583 VS gas 560 p liq.
a' 11 CCBr deform 290  B 290 S gas 292 p liq.
a 12 CH2 a-str 3018  B 3018 S gas
a 13 CH3 d-str 2988  C 2988 S gas 2971 p liq. OV(«nu»1)
a 14 CH3 d-deform 1451  D 1451 M gas 1442 dp liq. OV(«nu»4,«nu»5)
a 15 CH2 twist 1248  E CF
a 16 CH3 rock 964  D 964 S gas 960 dp liq. OV(«nu»9)
a 17 CH2 rock 770  B 770 M gas
a 18 Torsion 247  C 247 gas MW: «nu»247

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
VWVery weak
pPolarized
dpDepolarized
FRFermi resonance with an overtone or a combination tone indicated in the parentheses.
CFCalculated frequency
OVOverlapped by band indicated in parentheses.
MWTorsional Frequency calculated from microwave spectroscopic data.
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty
E15~30 cm-1 uncertainty

Gas Chromatography

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

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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedOV-1100.524.Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedOV-1125.529.Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedOV-175.517.Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedSE-30100.522.Winskowski, 1983Gaschrom Q; Column length: 2. m
PackedPorapack Q200.484.Goebel, 1982N2
PackedApolane70.509.6Riedo, Fritz, et al., 1976He, Chromosorb; Column length: 2.4 m
PackedDC-200100.519.Rohrschneider, 1966Column length: 4. m
PackedSqualane100.504.Rohrschneider, 1966Column length: 5. m
PackedApiezon L100.529.Rohrschneider, 1966Column length: 5. m
PackedApiezon L130.530.von Kováts, 1958Celite (40:60 Gewichtsverhaltnis)
PackedApiezon L70.522.von Kováts, 1958Celite (40:60 Gewichtsverhaltnis)

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedSP-1000100.792.57Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedSP-1000125.795.84Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedSP-100075.777.51Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedCarbowax 20M75.776.Goebel, 1982N2, Kieselgur (60-100 mesh); Column length: 2. m
PackedCarbowax 20M100.783.Rohrschneider, 1966Column length: 2. m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-101514.Dimov and Milina, 1989H2, 2. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 40. C; Tend: 280. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxanes511.Zenkevich and Chupalov, 1996Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.518.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG-20M100. - 150.784.Wang and Wu, 1990N2; Column length: 58. m; Column diameter: 0.35 mm

References

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

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

Kudchadker and Kudchadker, 1979
Kudchadker, S.A.; Kudchadker, A.P., Ideal gas thermodynamic properties of selected bromoethanes and iodoethane, J. Phys. Chem. Ref. Data, 1979, 8, 519-526. [all data]

Ashcroft, Carson, et al., 1965
Ashcroft, S.J.; Carson, A.S.; Carter, W.; Laye, P.G., Thermochemistry of reductions caused by lithium aluminium hydride. Part 3.- The C-halogen bond dissociation energies in ethyl iodine and ethyl bromide, Trans. Faraday Soc., 1965, 61, 225-229. [all data]

Fowell, Lacher, et al., 1965
Fowell, P.; Lacher, J.R.; Park, J.D., Reaction heats of organic compounds. Part 3.-Heats of hydrogenation of methyl bromide and ethyl bromide, Trans. Faraday Soc., 1965, 61, 1324-1327. [all data]

Lane, Linnett, et al., 1953
Lane, M.R.; Linnett, J.W.; Oswin, H.G., A study of the C2H4+HCl=C2H5Cl and C2H4+Hbr=C2H5Br equilibria, Proc. Roy. Soc. London A, 1953, 216, 361-374. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

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

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

Herz and Neukirch, 1923
Herz, W.; Neukirch, E., On Knowldge of the Critical State, Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1923, 104, 433-50. [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]

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]

Li and Rossini, 1961
Li, J.C.M.; Rossini, F.D., Vapor Pressures and Boiling Points of the l-Fluoroalkanes, l-Chloroalkanes, l-Bromoalkanes, and l-Iodoalkanes, C 1 to C 20 ., J. Chem. Eng. Data, 1961, 6, 2, 268-270, https://doi.org/10.1021/je60010a025 . [all data]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [all data]

Svoboda, Majer, et al., 1977
Svoboda, V.; Majer, V.; Veselý, F.; Pick, J., Heats of vaporization of alkyl bromides, Collect. Czech. Chem. Commun., 1977, 42, 6, 1755-1760, https://doi.org/10.1135/cccc19771755 . [all data]

Zmaczynski, 1930
Zmaczynski, M.A., J. Chim. Phys. Phys.-Chim. Biol., 1930, 27, 503. [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]

Zmaczynski, 1930, 2
Zmaczynski, M.A., Recherches Ebullioscopiques et Tonometriques Comparatives de 8 Substances Organiques Etalons, J. Chim. Phys. Phys. Chim. Biol., 1930, 27, 503-517. [all data]

Li, Ross, et al., 1996
Li, C.; Ross, P.; Szulejko, J.; McMahon, T.B., High-Pressure Mass Spectrometric Investigations of the Potential Energy Surfaces of Gas-Phase Sn2 Reactions., J. Am. Chem. Soc., 1996, 118, 39, 9360, https://doi.org/10.1021/ja960565o . [all data]

Dougherty, 1974
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Hunter and Lias, 1998
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Notes

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