Phosphorus tribromide
- Formula: Br3P
- Molecular weight: 270.686
- IUPAC Standard InChIKey: IPNPIHIZVLFAFP-UHFFFAOYSA-N
- CAS Registry Number: 7789-60-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: PBr3; Phosphorus(III) bromide; Phosphorous tribromide; Extrema; Phosphorous bromide; Phosphorus bromide; Tribromophosphine; UN 1808; Phosphorus bromide (PBr3)
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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 |
---|---|---|---|---|---|
ΔfH°gas | -34.900 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1963 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 83.227 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1963 |
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 | 19.76120 |
B | 0.094679 |
C | -0.025697 |
D | 0.002196 |
E | -0.145283 |
F | -41.28310 |
G | 106.2960 |
H | -34.90010 |
Reference | Chase, 1998 |
Comment | Data last reviewed in December, 1963 |
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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 351.7 | K | N/A | Bridgman, 1913 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 711. | K | N/A | Sladkov and Shimeleva, 1974 | Uncertainty assigned by TRC = 2. K; TRC |
Tc | 711. | K | N/A | Sladkov, 1973 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.295 | l/mol | N/A | Sladkov and Shimeleva, 1974 | Uncertainty assigned by TRC = 0.005 l/mol; Abstract, no details; TRC |
Vc | 0.300 | l/mol | N/A | Sladkov, 1973 | Uncertainty assigned by TRC = 0.009 l/mol; Abstract of deposited paper; Vis, Vc from liquid volume onl; TRC |
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 |
---|---|---|---|---|---|
280.9 to 448.5 | 4.14558 | 1694.636 | -39.741 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.59 ± 0.15 | NBIE | Mathur, Rothe, et al., 1976 | B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.1 ± 0.1 | EI | Varmuza and Krenmayr, 1971 | LLK |
9.85 | EI | Muller and Fenderl, 1969 | RDSH |
10.0 ± 0.2 | EI | Kiser, Dillard, et al., 1969 | RDSH |
9.99 | PE | Daamen, Boxhoorn, et al., 1978 | Vertical value; LLK |
10.00 | PE | Nicholson and Rademacher, 1974 | Vertical value; LLK |
9.96 | PE | Berkosky, Ellison, et al., 1973 | Vertical value; LLK |
10.00 ± 0.03 | PE | Cox, Evans, et al., 1972 | Vertical value; LLK |
10.0 | PE | Betteridge, Thompson, et al., 1972 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
Br+ | 17.1 ± 0.5 | ? | EI | Kiser, Dillard, et al., 1969 | RDSH |
PBr+ | 14.2 ± 0.2 | ? | EI | Varmuza and Krenmayr, 1971 | LLK |
PBr+ | 15.6 ± 0.3 | ? | EI | Kiser, Dillard, et al., 1969 | RDSH |
PBr2+ | 11.2 ± 0.1 | Br | EI | Varmuza and Krenmayr, 1971 | LLK |
PBr2+ | 11.4 ± 0.2 | Br | EI | Kiser, Dillard, et al., 1969 | RDSH |
P+ | 16.7 ± 0.7 | Br2+Br | EI | Varmuza and Krenmayr, 1971 | LLK |
P+ | 20.1 ± 0.5 | ? | EI | Kiser, Dillard, et al., 1969 | RDSH |
Ion clustering 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 by: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
+ = Br4P-
By formula: Br- + Br3P = Br4P-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.5 ± 1.4 | kcal/mol | CIDT | Heil, Check, et al., 2002 | gas phase |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering 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]
Bridgman, 1913
Bridgman, P.W.,
Thermodynamic properties of twelve liquids between 20!31 and 80!31 and up to 12,000 kgcu cm pressure,
Proc. Am. Acad. Arts Sci., 1913, 49, 1. [all data]
Sladkov and Shimeleva, 1974
Sladkov, I.B.; Shimeleva, V.I.,
Russ. J. Phys. Chem. (Engl. Transl.), 1974, 48, 154. [all data]
Sladkov, 1973
Sladkov, I.B.,
Critical Constants of Phosphorous Tribromide,
Russ. J. Phys. Chem., 1973, 47, 436-7. [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]
Mathur, Rothe, et al., 1976
Mathur, B.P.; Rothe, E.W.; Tang, S.Y.; Reck, G.,
Negative ions from phosphorus halides due to cesium charge exchange,
J. Chem. Phys., 1976, 64, 565. [all data]
Varmuza and Krenmayr, 1971
Varmuza, K.; Krenmayr, P.,
Massenspektrometrische untersuchungen einfacher und gemischter phosphortrihalogenide,
Monatsh. Chem., 1971, 102, 1037. [all data]
Muller and Fenderl, 1969
Muller, J.; Fenderl, K.,
Massenspektren und Ionisierungspotentiale von C5H5Mn(CO)2PX3-Komplexen,
J. Organometal. Chem., 1969, 19, 123. [all data]
Kiser, Dillard, et al., 1969
Kiser, R.W.; Dillard, J.G.; Dugger, D.L.,
Mass spectrometry of inorganic halides,
Advan. Chem. Ser., 1969, 72, 153. [all data]
Daamen, Boxhoorn, et al., 1978
Daamen, H.; Boxhoorn, G.; Oskam, A.,
U. V. photoelectron (He I and He II) studies of M(CO)5PX3 (M=Cr, Mo, W and X=F, Cl, Br),
Inorg. Chim. Acta, 1978, 28, 263. [all data]
Nicholson and Rademacher, 1974
Nicholson, D.G.; Rademacher, P.,
Photoelectron spectra and electronic structures of antimony(III) halides,
Acta Chem. Scand. Ser. A:, 1974, 28, 1136. [all data]
Berkosky, Ellison, et al., 1973
Berkosky, J.L.; Ellison, F.O.; Lee, T.H.; Rabalais, J.W.,
Model for calculating spin-orbit interactions with applications to photoelectron spectroscopy,
J. Chem. Phys., 1973, 59, 5342. [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]
Heil, Check, et al., 2002
Heil, T.E.; Check, C.E.; Lobring, K.C.; Sunderlin, L.S.,
The thermochemistry of phosphorus tetrahalide anions,
J. Phys. Chem. A, 2002, 106, 42, 10043-10048, https://doi.org/10.1021/jp021386y
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity S°gas,1 bar Entropy of gas at standard conditions (1 bar) Tboil Boiling point Tc Critical temperature Vc Critical volume ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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