Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

phosphorus pentachloride


Gas phase thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, 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
gas,1 bar364.21J/mol*KReviewChase, 1998Data 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.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

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
ReferenceChase, 1998
Comment Data last reviewed in September, 1962

Phase change data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, 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 - W.E. Acree, Jr., J.S. Chickos

Quantity Value Units Method Reference Comment
Deltasub71.1 ± 5.0kJ/molN/APolyachenok and Polyachenok, 1973AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
328.7 - 435.4.682171300.484-157.173Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Reference Comment
67.4 ± 2.3390.Polyachenok and Polyachenok, 1973AC

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Phase change data, Vibrational and/or electronic energy levels, NIST Free Links, 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 - S.G. Lias, J.E. Bartmess, J.F. Liebman, J.L. Holmes, R.D. Levin, and W.G. Mallard
LLK - S.G. Lias, R.D. Levin, and S.A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
10.2PEElbel, Runger, et al., 1986LBLHLM
10.88PECox, Evans, et al., 1972Vertical value; LLK
10.7PEBetteridge, Thompson, et al., 1972Vertical value; LLK

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, NIST Free Links, 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: T. Shimanouchi

Symmetry:   D3h     Symmetry Number sigma = 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

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
pPolarized
dpDepolarized
C3~6 cm-1 uncertainty
D6~15 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

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, References