Propane, 1,2,3-trichloro-

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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.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-183. ± 2.kJ/molCcrBjellerup and Smith, 1954Heat of formation derived by Cox and Pilcher, 1970

Condensed 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.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-230. ± 0.8kJ/molCcrBjellerup and Smith, 1954At 293 K; ALS
Quantity Value Units Method Reference Comment
Δcliquid-1735. ± 0.8kJ/molCcrBjellerup and Smith, 1954At 293 K; ALS
Δcliquid-1735.4 ± 1.3kJ/molCcbSmith, Bjellerup, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = -1730. ± 10. kJ/mol; ALS
Δcliquid-1727.6 ± 1.8kJ/molCcrSmith, Bjellerup, et al., 1953ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
172.8298.Kurbatov, 1948T = 17 to 155°C, mean Cp, three temperatures.; DH
183.6298.Nelson and Newton, 1941T = 0 to 60°C. Equation only.; DH

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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil429. ± 3.KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus259.4KN/AAnonymous, 1957Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Δvap47.8 ± 0.1kJ/molCAn and Hu, 1989AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
43.352.AStephenson and Malanowski, 1987Based on data from 337. to 477. K. See also Dykyj, 1970.; AC
43.376.N/AUrbancova, 1959Based on data from 361. to 429. K.; AC
48. ± 1.293.EBjellerup and Smith, 1954Heat of formation derived by Cox and Pilcher, 1970; ALS
46.8297.N/AStull, 1947Based on data from 282. to 431. K.; AC

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
282. to 431.4.65671818.875-40.631Stull, 1947Coefficents calculated by NIST from author's data.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
3.43700.LN/A 
2.9 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
4.44000.MN/A 
2.83500.XLeighton and Calo, 1981 
3.1 VN/A 

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-4409
NIST MS number 227548

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Bjellerup and Smith, 1954
Bjellerup, L.; Smith, L., Heats of combustion of some organic chloro-compounds, Kgl. Fysiograph. Sallskap. Lund Forh., 1954, 24, 1-13. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Smith, Bjellerup, et al., 1953
Smith, L.; Bjellerup, L.; Krook, S.; Westermark, H., Heats of combustion of organic chloro compounds determined by the "quartz wool" method, Acta Chem. Scand., 1953, 7, 65. [all data]

Kurbatov, 1948
Kurbatov, V.Ya., Heat capacity of liquids. 2. Heat capacity and the temperature dependence of heat capacity from halogen derivatives of acylic hydrocarbons, Zh. Obshch. Kim., 1948, 18, 372-389. [all data]

Nelson and Newton, 1941
Nelson, E.W.; Newton, R.F., The heat capacity of glucose glass, J. Am. Chem. Soc., 1941, 63, 2178-2182. [all data]

Anonymous, 1957
Anonymous, R., , Am. Pet. Inst. Res. Proj. 6, Carnegie-Mellon Univ., 1957. [all data]

An and Hu, 1989
An, Xuwu; Hu, Hui, Enthalpies of Vaporization of Some Multichloro-Alkanes, Acta Phys. Chim. Sin., 1989, 5, 5, 565-571, https://doi.org/10.3866/PKU.WHXB19890511 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [all data]

Urbancova, 1959
Urbancova, L., Chem. Zvesti, 1959, 13, 224. [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]

Leighton and Calo, 1981
Leighton, D.T.; Calo, J.M., Distribution Coefficients of Chlorinated Hydrocarbons in Dilute Air-Water Systems for Groundwater Contamination Applications, J. Chem. Eng. Data, 1981, 26, 382-385. [all data]


Notes

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