phosphorus pentachloride
- Formula: Cl5P
- Molecular weight: 208.239
- IUPAC Standard InChI: InChI=1S/Cl5P/c1-6(2,3,4)5
- IUPAC Standard InChIKey: UHZYTMXLRWXGPK-UHFFFAOYSA-N
- CAS Registry Number: 10026-13-8
- Chemical structure:
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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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| S°gas,1 bar | 364.21 | J/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1962 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. - 6000. |
|---|---|
| A | 130.8939 |
| B | 1.819585 |
| C | -0.492415 |
| D | 0.041986 |
| E | -1.765235 |
| F | -405.2062 |
| G | 512.1634 |
| H | -360.1842 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in September, 1962 |
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:
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 71.1 ± 5.0 | kJ/mol | N/A | Polyachenok and Polyachenok, 1973 | 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 |
|---|---|---|---|---|---|
| 328.7 - 435. | 4.68217 | 1300.484 | -157.173 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 67.4 ± 2.3 | 390. | Polyachenok and Polyachenok, 1973 | AC |
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 compiled as indicated in comments:
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
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.2 | PE | Elbel, Runger, et al., 1986 | LBLHLM |
| 10.88 | PE | Cox, Evans, et al., 1972 | Vertical value; LLK |
| 10.7 | PE | Betteridge, Thompson, et al., 1972 | Vertical value; LLK |
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: D3h Symmetry Number σ = 6
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1' | 1 | PCl3 s-str | 395 | D | 395 VS p | solid solid solid solid | ||||
| a1' | 2 | PCl2 s-str | 370 | D | 370 VW dp | solid solid solid solid | ||||
| a2 | 3 | PCl2 a-str | 465 | C | 465 VS | gas | 441 VW dp | solid solid solid solid | ||
| a2 | 4 | PCl3 op-deform | 299 | D | 299 S | solid solid | 301 | solid solid solid solid | ||
| e' | 5 | PCl3 d-str | 592 | C | 592 VS | gas | 581 W p | solid solid solid solid | ||
| e' | 6 | PCl3 d-deform | 273 | D | 273 S | solid solid | 281 W dp | solid solid solid solid | ||
| e' | 7 | PCl bend | 100 | C | 100 W | gas | 100 M dp | solid solid solid solid | ||
| e | 8 | PCl bend | 261 | D | 261 W dp | solid solid solid solid | ||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| p | Polarized |
| dp | Depolarized |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Polyachenok and Polyachenok, 1973
Polyachenok, L.D.; Polyachenok, O.G.,
Zh. Fiz. Khim., 1973, 47, 498. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Elbel, Runger, et al., 1986
Elbel, S.; Runger, G.; Egsgaard, H.; Carlsen, L.,
Evidence of gaseous AsCl4F from AsCl4AsF9 by U.P.S. and F.I.M.S. investigations,
J. Chem. Res. Synop., 1986, 294. [all data]
Cox, Evans, et al., 1972
Cox, P.A.; Evans, S.; Orchard, A.F.; Richardson, N.V.; Roberts, P.J.,
Simple quantitative molecular orbital methods used in connection with photoelectron spectroscopy,
Faraday Discuss. Chem. Soc., 1972, 54, 26. [all data]
Betteridge, Thompson, et al., 1972
Betteridge, D.; Thompson, M.; Baker, A.D.; Kemp, N.R.,
Photoelectron spectra of phosphorus halides, alkyl phosphites and phosphates, organophosphorus pesticides, and related compounds,
Anal. Chem., 1972, 44, 2005. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]
Notes
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- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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