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, Condensed phase thermochemistry data, 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 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, 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: Eugene S. Domalski and Elizabeth D. Hearing
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference |
|---|---|---|
| 99.6 | 298. | Conti, Gianni, et al., 1976 |
References
Go To: Top, Gas phase thermochemistry data, Condensed 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]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid 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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