Trimethylene oxide
- Formula: C3H6O
- Molecular weight: 58.0791
- IUPAC Standard InChI: InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2
- IUPAC Standard InChIKey: AHHWIHXENZJRFG-UHFFFAOYSA-N
- CAS Registry Number: 503-30-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Oxetane; α,γ-Propane oxide; Cyclooxabutane; Oxacyclobutane; Propane, 1,3-epoxy-; 1,3-Epoxypropane; 1,3-Propylene oxide; 1,3-Trimethylene oxide; Trimethylenoxid; Oxetan; NSC 30086; 1,2-epoxypropane
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Gas phase thermochemistry data
Go To: Top, 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 |
|---|---|---|---|---|---|
| ΔfH°gas | -80.54 | kJ/mol | Cm | Douslin, Scott, et al., 1976 | ALS |
| ΔfH°gas | -80.54 ± 0.63 | kJ/mol | Cm | Pell and Pilcher, 1965 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°gas | -1957.5 ± 0.59 | kJ/mol | Cm | Pell and Pilcher, 1965 | Corresponding ΔfHºgas = -80.54 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 37.95 | 50. | Dorofeeva O.V., 1992 | p=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 |
| 38.53 | 100. | ||
| 39.96 | 150. | ||
| 44.30 | 200. | ||
| 56.38 | 273.15 | ||
| 61.5 ± 2.0 | 298.15 | ||
| 61.94 | 300. | ||
| 83.97 | 400. | ||
| 104.24 | 500. | ||
| 121.31 | 600. | ||
| 135.52 | 700. | ||
| 147.44 | 800. | ||
| 157.53 | 900. | ||
| 166.12 | 1000. | ||
| 173.47 | 1100. | ||
| 179.77 | 1200. | ||
| 185.20 | 1300. | ||
| 189.88 | 1400. | ||
| 193.93 | 1500. |
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 61.20 ± 0.12 | 298.15 | Hossenlopp I.A., 1981 | GT |
| 66.66 ± 0.13 | 323.15 | ||
| 72.18 ± 0.14 | 348.15 | ||
| 77.84 ± 0.15 | 373.15 | ||
| 83.34 ± 0.17 | 398.15 | ||
| 88.72 ± 0.18 | 423.15 | ||
| 94.05 ± 0.19 | 448.15 | ||
| 99.08 ± 0.20 | 473.15 | ||
| 103.93 ± 0.21 | 498.15 | ||
| 108.65 ± 0.22 | 523.15 |
References
Go To: Top, Gas phase thermochemistry data, 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]
Notes
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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