Oxetane, 3,3-bis-(chloromethyl)
- Formula: C5H8Cl2O
- Molecular weight: 155.022
- IUPAC Standard InChI: InChI=1S/C5H8Cl2O/c6-1-5(2-7)3-8-4-5/h1-4H2
- IUPAC Standard InChIKey: CXURGFRDGROIKG-UHFFFAOYSA-N
- CAS Registry Number: 78-71-7
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 3,3-bis(chloromethyl)oxetane
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Phase change data
Go To: Top, Gas Chromatography, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Ttriple | 292.16 | K | N/A | Dainton, Evans, et al., 1962 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 13.38 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
| ΔvapH° | 13.38 ± 0.091 | kcal/mol | C | Ringner, Sunner, et al., 1971 | ALS |
| ΔvapH° | 13.4 ± 0.1 | kcal/mol | C | Ringner, Sunner, et al., 1971 | AC |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 4.051 | 292.2 | Domalski and Hearing, 1996 | AC |
Enthalpy of phase transition
| ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 4.0497 | 292.16 | crystaline, I | liquid | Dainton, Evans, et al., 1962, 2 | Premelting occurs above 250 K.; DH |
Entropy of phase transition
| ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 13.86 | 292.16 | crystaline, I | liquid | Dainton, Evans, et al., 1962, 2 | Premelting; DH |
Gas Chromatography
Go To: Top, Phase change 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | SE-30 | 125. | 1077. | Casteignau and Halary, 1972 | Chromosorb P (60-80 mesh); Column length: 3. m |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dainton, Evans, et al., 1962
Dainton, F.S.; Evans, D.M.; Hoare, F.E.; Melia, T.P.,
Thermodynamic functions of linear high polymers. Part II. Penton,
Polymer, 1962, 3, 271-6. [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]
Ringner, Sunner, et al., 1971
Ringner, B.; Sunner, S.; Watanabe, H.,
The enthalpies of combustion and formation of some 3,3-disubstituted oxetanes,
Acta Chem. Scand., 1971, 25, 141-146. [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]
Dainton, Evans, et al., 1962, 2
Dainton, F.S.; Evans, D.M.; Hoare, F.E.; Melia, T.P.,
Thermodynamic functions of linear high polymers. Part II. Thermodynamic functions of penton,
Polymer, 1962, 3, 271-276. [all data]
Casteignau and Halary, 1972
Casteignau, G.; Halary, J.-L.,
No. 72 - Identification et dosage par chromatographie en phase gazeuse d'oxetannes disubstitués en 3 et de quelques autres éthers-oxydes,
Bull. Soc. Chim. Fr., 1972, 1, 420-428. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.