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
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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
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. |
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
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
C2Cl5- + =
By formula: C2Cl5- + H+ = C2HCl5
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1559. ± 10. | kJ/mol | D-EA | Gaines, Kay, et al., 1966 | gas phase; The Magnetron method, lacking mass analysis, is not considered reliable. G3MP2B3 calculations indicate an EA of ca. 3.2 eV; B |
By formula: C2HCl5 = C2Cl4 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 45.1 ± 4.5 | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | liquid phase; GC; ALS |
ΔrH° | 39. | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase; ALS |
By formula: H2CaO2 + 2C2HCl5 = CaCl2 + 2C2Cl4 + 2H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -181.6 | kJ/mol | Cm | Kirkbride, 1956 | liquid phase; ALS |
By formula: Cl2 + C2HCl3 = C2HCl5
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -151. | kJ/mol | Cm | Kirkbride, 1956 | liquid 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) = 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 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, 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]
Gaines, Kay, et al., 1966
Gaines, A.F.; Kay, J.; Page, F.M.,
Determination of Electron Affinities. Part 8. - CCl4, CHCl3, and CH2Cl2,
Trans. Farad. Soc., 1966, 62, 874, https://doi.org/10.1039/tf9666200874
. [all data]
Levanova, Bushneva, et al., 1979
Levanova, s.V.; Bushneva, I.I.; Rodova, R.M.; Rozhnov, A.M.; Treger, Yu.A.; Aprelkin, A.S.,
Thermodynamic stability of chloroethanes in dehydrochlorination reactions,
J. Appl. Chem. USSR, 1979, 52, 1439-1442. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, 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 ΔrH° Enthalpy of reaction 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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