3-((Tert-butyl)dioxy)-1,2-propanediol
- Formula: C7H16O4
- Molecular weight: 164.1995
- IUPAC Standard InChI: InChI=1S/C7H16O4/c1-7(2,3)11-10-5-6(9)4-8/h6,8-9H,4-5H2,1-3H3
- IUPAC Standard InChIKey: XISVYTYILCUPLN-UHFFFAOYSA-N
- CAS Registry Number: 38578-50-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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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 by: Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -150.9 ± 0.74 | kcal/mol | N/A | Van Chin Syan, Kachurina, et al., 1983 | Value computed using ΔfHliquid° value of -719.2±1.6 kj/mol from Van Chin Syan, Kachurina, et al., 1983 and ΔvapH° value of 88±2.6 kj/mol from missing citation. |
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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -171.9 ± 0.38 | kcal/mol | Ccb | Van Chin Syan, Kachurina, et al., 1983 | see Zaikin, Van Chin Syan, et al., 1972, and Kachurina, Van Chin Syan, et al., 1983 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1032.9 ± 0.31 | kcal/mol | Ccb | Van Chin Syan, Kachurina, et al., 1983 | see Zaikin, Van Chin Syan, et al., 1972, and Kachurina, Van Chin Syan, et al., 1983; Corresponding ΔfHºliquid = -172.0 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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.
Van Chin Syan, Kachurina, et al., 1983
Van Chin Syan, Yu.Ya.; Kachurina, N.S.; Petrovskaya, G.A.; Chuchmarev, S.K.,
Thermodynamic properties of certain hydroxyperoxides,
Russ. J. Phys. Chem. (Engl. Transl.), 1983, 57, 1751-1752, In original 1145. [all data]
Zaikin, Van Chin Syan, et al., 1972
Zaikin, I.D.; Van Chin Syan, Yu.Ya.; Chuchmarev, S.K.; Elagin, G.I.,
Standard heats of formation of dialkyl peroxides,
Russ. J. Phys. Chem. (Engl. Transl.), 1972, 46, 1241-1242. [all data]
Kachurina, Van Chin Syan, et al., 1983
Kachurina, N.S.; Van Chin Syan, Yu.Ya.; Petrovskaya, G.A.,
Standard heats of formation of some hydroxy peroxides, Deposited Document, SPSTL 950 Khp-D81. Chem. Abst. 98:142797n, 1983, 1-5, In original 1145. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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