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Propane, 1,3-dibromo-2,2-bis(bromomethyl)-

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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 by: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
solid,1 bar297.12J/mol*KN/AClever, Wong, et al., 1965Based on low temperature data of 62PAY/WES.
solid,1 bar291.12J/mol*KN/APayne and Westrum, 1962 
solid,1 bar291.12J/mol*KN/AWestrum, 1959 

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
218.57298.15Clever, Wong, et al., 1965T = 250 to 460 K.
213.80298.15Payne and Westrum, 1962T = 6 to 300 K. Anomalous region, 260 to 290 K.
213.80298.15Westrum, 1959Based on data 10 to 350 K, to be reported elsewhere.

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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil578.7KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Ttriple433.45KN/AClever, Wong, et al., 1965, 2Uncertainty assigned by TRC = 0.05 K; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
61.0452.AStephenson and Malanowski, 1987Based on data from 439. - 466. K.; AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
84.0399.AStephenson and Malanowski, 1987Based on data from 384. - 434. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
27.966433.45Clever, Wong, et al., 1965DH
27.97433.5Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
64.52433.45Clever, Wong, et al., 1965DH

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:


IR Spectrum

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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

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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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-3029
NIST MS number 231204

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Condensed phase thermochemistry data, Phase change 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.

Clever, Wong, et al., 1965
Clever, H.L.; Wong, W-K.; Westrum, E.F., Jr., Heat capacities and thermodynamic properties of globular molecules. XIII. Transition and fusion of pentaerythrityl chloride and bromide, transition of pentaerythrityl iodide, J. Phys. Chem., 1965, 69, 1209-1213. [all data]

Payne and Westrum, 1962
Payne, D.H.; Westrum, E.F., Jr., Heat capacities and thermodynamic properties of globular molecules. IV. Pentaerythrityl chloride, bromide, and iodide from 6 to 300°K, J. Phys. Chem., 1962, 66, 748-751. [all data]

Westrum, 1959
Westrum, E.F., Jr., Ordering transitions in symmetrical molecules, Symp. Thermodynam. Fritens-Wattens, Tirol Austria, 1959, No.36, 11p. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Clever, Wong, et al., 1965, 2
Clever, H.L.; Wong, W.-K.; Westrum, E.F., Heat Capacities and Thermodynamic Properties of Globular Molecules. XIII. Transition and Fusion ofPentaerythritol Chloride and Bromide. Transition of Pentaerythritol Iodide, J. Phys. Chem., 1965, 69, 1209. [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]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References