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
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References, Notes
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. to 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 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, 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:
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
Go To: Top, Gas phase thermochemistry 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: 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, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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]
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) - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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