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Trimethylene oxide

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-19.25kcal/molCmDouslin, Scott, et al., 1976ALS
Deltafgas-19.25 ± 0.15kcal/molCmPell and Pilcher, 1965ALS
Quantity Value Units Method Reference Comment
Deltacgas-467.85 ± 0.14kcal/molCmPell and Pilcher, 1965Corresponding «DELTA»fgas = -19.25 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
9.07050.Dorofeeva O.V., 1992p=1 bar. Selected values of Cp(T) coincide with the calorimetric values within 0.3 J/mol*K. The value of -(G-Ho)/T at 298.15 K obtained from absolute intensity measurements in the microwave spectrum [ Curl R.F., 1973] differs by only 0.2 J/mol*K from the value calculated by [ Dorofeeva O.V., 1992, 2]. Discrepancies with the Cp(T) and S(T) values calculated by [ Zurcher R.F., 1955, Zurcher R.F., 1957] amount to 2-10 J/mol*K.; GT
9.209100.
9.551150.
10.59200.
13.48273.15
14.71 ± 0.48298.15
14.80300.
20.07400.
24.914500.
28.994600.
32.390700.
35.239800.
37.651900.
39.7041000.
41.4601100.
42.9661200.
44.2641300.
45.3821400.
46.3501500.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
14.63 ± 0.029298.15Hossenlopp I.A., 1981GT
15.93 ± 0.031323.15
17.25 ± 0.033348.15
18.60 ± 0.036373.15
19.92 ± 0.041398.15
21.20 ± 0.043423.15
22.48 ± 0.045448.15
23.68 ± 0.048473.15
24.840 ± 0.050498.15
25.968 ± 0.053523.15

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

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference
23.8298.Conti, Gianni, et al., 1976

Phase change data

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

Quantity Value Units Method Reference Comment
Tboil323.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil320.7KN/AWeast and Grasselli, 1989BS
Tboil320.8KN/AMajer and Svoboda, 1985 
Tboil321.65KN/AChan, Zinn, et al., 1960Uncertainty assigned by TRC = 0.5 K; TRC
Tboil320.9KN/AAllen and Hibbert, 1934Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Tfus176.15KN/ABrooks and Pilcher, 1959Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Tc507.9KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Deltavap7.220kcal/molN/AMajer and Svoboda, 1985 
Deltavap7.12kcal/molCHossenlopp and Scott, 1981AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Reference Comment
6.852320.8Majer and Svoboda, 1985 

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kcal/mol) beta Tc (K) Reference Comment
272. - 342.10.350.2532507.9Majer and Svoboda, 1985 

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
1.50173.2Handa, 1985Based on data from 85. - 270. K.; AC

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, Gas phase thermochemistry data, 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

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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 NIST Mass Spectrometry Data Center, 1990.
NIST MS number 118713

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, Gas phase thermochemistry data, 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.

Douslin, Scott, et al., 1976
Douslin, D.R.; Scott, D.W.; Good, W.D.; Osborn, A.G., Thermodynamic properties of organic compounds and thermodynamic properties of fluids, Gov. Rep. Announce. Index U.S., 1976, 76, 97. [all data]

Pell and Pilcher, 1965
Pell, A.S.; Pilcher, G., Measurements of heats of combustion by flame calorimetry. Part 3.-Ethylene oxide, trimethylene oxide, tetrahydrofuran and tetrahydropy, Trans. Faraday Soc., 1965, 61, 71-77. [all data]

Dorofeeva O.V., 1992
Dorofeeva O.V., Ideal gas thermodynamic properties of oxygen heterocyclic compounds. Part 1. Three-membered, four-membered and five-membered rings, Thermochim. Acta, 1992, 194, 9-46. [all data]

Curl R.F., 1973
Curl R.F., Determination of thermodynamic functions from absolute intensity measurements in microwave spectroscopy, J. Am. Chem. Soc., 1973, 95, 6182-6190. [all data]

Dorofeeva O.V., 1992, 2
Dorofeeva O.V., Ideal gas thermodynamic properties of oxygen heterocyclic compounds. Part 2. Six-membered, seven-membered and eight-membered rings, Thermochim. Acta, 1992, 200, 121-150. [all data]

Zurcher R.F., 1955
Zurcher R.F., Vibrational spectra and thermodynamic properties of trimethylene oxide, Helv. Chim. Acta, 1955, 38, 849-865. [all data]

Zurcher R.F., 1957
Zurcher R.F., Raman spectrum, normal coordinate analysis and thermodynamic properties of trimethylene oxide. II, Helv. Chim. Acta, 1957, 40, 89-101. [all data]

Hossenlopp I.A., 1981
Hossenlopp I.A., Vapor heat capacities and enthalpies of vaporization of six organic compounds, J. Chem. Thermodyn., 1981, 13, 405-414. [all data]

Conti, Gianni, et al., 1976
Conti, G.; Gianni, P.; Matteoli, E.; Mengheri, M., Capacita termiche molari di alcuni composti organici mono- e bifunzionali nel liquido puro e in soluzione acquosa a 25C, Chim. Ind. (Milan), 1976, 58, 225. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Chan, Zinn, et al., 1960
Chan, S.I.; Zinn, J.; Fernandez, J.; Gwinn, W.D., Trimethylene Oxide. I. Microwave Spectrum, Dipole Moment, and Double Minimum Vibration, J. Chem. Phys., 1960, 33, 1643. [all data]

Allen and Hibbert, 1934
Allen, J.S.; Hibbert, H., Studies on reactions relating to carbohydrates and polysaccharides: xlvii the oxygen valence angle and the structure of glucose and related compounds, J. Am. Chem. Soc., 1934, 56, 1398. [all data]

Brooks and Pilcher, 1959
Brooks, J.H.; Pilcher, G., A Simple Melting Point Calorimeter for Moderately Precise Determination of Purity, J. Chem. Soc., 1959, 1959, 1535. [all data]

Hossenlopp and Scott, 1981
Hossenlopp, I.A.; Scott, D.W., Vapor heat capacities and enthalpies of vaporizaiton of six organic compounds, J. Chem. Thermodyn., 1981, 13, 405-414. [all data]

Handa, 1985
Handa, Y.P., A calorimetric study of trimethylene oxide and its structure I and structure II clathrate hydrates in the temperature range 85 to 270 K, Can. J. Chem., 1985, 63, 1, 68-70, https://doi.org/10.1139/v85-012 . [all data]


Notes

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