Ethane, pentachloro-
- Formula: C2HCl5
- Molecular weight: 202.294
- IUPAC Standard InChIKey: BNIXVQGCZULYKV-UHFFFAOYSA-N
- CAS Registry Number: 76-01-7
- 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. - Other names: Pentachloroethane; Pentalin; CHCl2CCl3; Ethane pentachloride; NCI-C53894; Pentachloorethaan; Pentachloraethan; Pentachlorethane; Pentacloroetano; Rcra waste number U184; UN 1669; Pentaline; Ethane, 1,1,1,2,2-pentachloro-
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law 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 |
---|---|---|---|---|---|
ΔfH°gas | -155.9 ± 4.3 | kJ/mol | Review | Manion, 2002 | derived from recommended ΔfHliquid° and ΔvapH°; DRB |
ΔfH°gas | -145. | kJ/mol | Cm | Kirkbride, 1956 | ALS |
Condensed phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -203. ± 4. | kJ/mol | Review | Manion, 2002 | weighted average of several measurements; DRB |
ΔfH°liquid | -191. | kJ/mol | Cm | Kirkbride, 1956 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -862.3 ± 8.4 | kJ/mol | Ccb | Smith, Bjellerup, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -860. ± 10. kJ/mol; ALS |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
196.2 | 298. | Kurbatov, 1948 | T = 16 to 154°C, mean Cp, three 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
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 435.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 435. | K | N/A | Ewell and Welch, 1941 | Uncertainty assigned by TRC = 1. K; TRC |
Tboil | 434.65 | K | N/A | Earp and Glasstone, 1935 | Uncertainty assigned by TRC = 1. K; TRC |
Tboil | 435.10 | K | N/A | Lecat, 1926 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 243.5 | K | N/A | Van de Vloed, 1939 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 47.4 ± 1.5 | kJ/mol | Review | Manion, 2002 | estimated from Tb using DvH/Tb correlation for other chloroethanes; DRB |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
342.2 | 0.049 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
40.9 | 289. | A | Stephenson and Malanowski, 1987 | Based on data from 274. to 434. K.; AC |
45.5 | 313. | N/A | Nelson, 1930 | Based on data from 298. to 435. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
298.3 to 435.4 | 3.76764 | 1342.271 | -76.644 | Nelson, 1930 | Coefficents calculated by NIST from author's data. |
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) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
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)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.54 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.46 | L | N/A | ||
0.40 | V | N/A | ||
0.41 | V | N/A |
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
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | OV-1 | 100. | 965. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | OV-1 | 125. | 978. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | OV-1 | 75. | 957. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | SP-1000 | 125. | 1454.62 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | SP-1000 | 75. | 1431.59 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 951. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Packed | SE-30 | 963.2 | Zilka and Matucha, 1978 | Ar, Chromaton N-AW-DMCS, 8. K/min; Column length: 2. m; Tstart: 40. C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 953. | Zenkevich, Eliseenkov, et al., 2011 | 25. m/0.20 mm/0.25 μm, Nitrogen, 6. K/min; Tstart: 40. C; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxanes | 953. | Zenkevich, Eliseenkov, et al., 2006 | Program: not specified |
Capillary | Methyl Silicone | 953. | Zenkevich, 2001 | Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 950. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 965. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Manion, 2002
Manion, J.A.,
Evaluated Enthalpies of Formation of the Stable Closed Shell C1 and C2 Chlorinated Hydrocarbons,
J. Phys. Chem. Ref. Data, 2002, 31, 1, 123-172, https://doi.org/10.1063/1.1420703
. [all data]
Kirkbride, 1956
Kirkbride, F.W.,
The heats of chlorination of some hydrocarbons and their chloro-derivatives,
J. Appl. Chem., 1956, 6, 11-21. [all data]
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]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [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]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Ewell and Welch, 1941
Ewell, R.H.; Welch, L.M.,
Maximum Boiling Mixtures of chloroparaffins with Donor Liquids,
J. Am. Chem. Soc., 1941, 63, 2475. [all data]
Earp and Glasstone, 1935
Earp, D.P.; Glasstone, S.,
Dielectric polarisation and molecular-compound formation in solution,
J. Chem. Soc., 1935, 1935, 1709. [all data]
Lecat, 1926
Lecat, M.,
New binary azeotropes: 3rd list,
Ann. Soc. Sci. Bruxelles, Ser. B, 1926, 45, 284-94. [all data]
Van de Vloed, 1939
Van de Vloed, A.,
Bull. Soc. Chim. Belg., 1939, 48, 229. [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]
Nelson, 1930
Nelson, O.A.,
Vapor Pressures of Fumigants,
Ind. Eng. Chem., 1930, 22, 9, 971-972, https://doi.org/10.1021/ie50249a020
. [all data]
Castello and Gerbino, 1988
Castello, G.; Gerbino, T.C.,
Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases,
J. Chromatogr., 1988, 437, 33-45, https://doi.org/10.1016/S0021-9673(00)90369-8
. [all data]
White, Hackett, et al., 1992
White, C.M.; Hackett, J.; Anderson, R.R.; Kail, S.; Spock, P.S.,
Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane,
J. Hi. Res. Chromatogr., 1992, 15, 2, 105-120, https://doi.org/10.1002/jhrc.1240150211
. [all data]
Zilka and Matucha, 1978
Zilka, L.; Matucha, M.,
Gas chromatographic analysis of chlorinated ethanes,
J. Chromatogr., 1978, 148, 1, 229-235, https://doi.org/10.1016/S0021-9673(00)99342-7
. [all data]
Zenkevich, Eliseenkov, et al., 2011
Zenkevich, I.G.; Eliseenkov, E.V.; Kasatochkin, A.N.; Ukolov, A.I.,
Identification of the products of nonregioselective organic reactions by chromatography - mass spectrometry: chloro derivatives of dialkyl ethers,
Rus. J. Anal. Chem., 2011, 66, 14, 1445-1454, https://doi.org/10.1134/S1061934811140218
. [all data]
Zenkevich, Eliseenkov, et al., 2006
Zenkevich, I.G.; Eliseenkov, E.V.; Kasatochkin, A.N.,
Application of Retention Indices in GC-MS Identification of Halogenated Organic Compounds,
Mass Spectromery (Rus.), 2006, 3, 2, 131-140. [all data]
Zenkevich, 2001
Zenkevich, I.G.,
Comparative Characterization of Conditions for Unambuguous Chromatographic Identification of Organic Compounds,
Zh. Anal. Khim., 2001, 56, 9, 915-924. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas Chromatography, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Tboil Boiling point Tfus Fusion (melting) point d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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