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, Phase change 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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| S°gas,1 bar | 87.048 | cal/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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 6000. |
|---|---|
| A | 31.28439 |
| B | 0.434891 |
| C | -0.117690 |
| D | 0.010035 |
| E | -0.421901 |
| F | -96.84661 |
| G | 122.4100 |
| H | -86.08609 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in September, 1962 |
Phase change data
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 as indicated in comments:
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 17.0 ± 1.2 | kcal/mol | N/A | Polyachenok and Polyachenok, 1973 | AC |
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 |
|---|---|---|---|---|---|
| 328.7 to 435. | 4.67646 | 1300.484 | -157.173 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 16.1 ± 0.55 | 390. | Polyachenok and Polyachenok, 1973 | AC |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change 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 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 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- 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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