phosphorus pentachloride


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
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.

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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
ReferenceChase, 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
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)

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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

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 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

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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]

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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