Dotriacontane
- Formula: C32H66
- Molecular weight: 450.8664
- IUPAC Standard InChI: InChI=1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
- IUPAC Standard InChIKey: QHMGJGNTMQDRQA-UHFFFAOYSA-N
- CAS Registry Number: 544-85-4
- 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: n-Dotriacontane; Bicetyl
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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 as indicated in comments:
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -231.3 ± 2.1 | kcal/mol | Ccb | Parks, West, et al., 1946 | Heat of formation derived by Cox and Pilcher, 1970; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -5032.7 ± 2.0 | kcal/mol | Ccb | Parks, West, et al., 1946 | Reanalyzed by Cox and Pilcher, 1970, Original value = -5032.3 ± 2.0 kcal/mol; Heat of formation derived by Cox and Pilcher, 1970; Corresponding ΔfHºsolid = -231.33 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 203.5 | cal/mol*K | N/A | Parks, Moore, et al., 1949 | Extrapolation below 80 K, 214.8 J/mol*K.; DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 324.1 | 348. | Verdonk, 1938 | DH |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 193. | 300. | Hoehne, 1981 | T = 300 to 500 K. Cv = 1.77 J/g*K.; DH |
| 209.7 | 298.15 | Parks, Moore, et al., 1949 | T = 80 to 300 K.; DH |
| 253.1 | 338. | Verdonk, 1938 | crystaline, α phase; DH |
| 248.1 | 333. | Verdonk, 1938 | crystaline, β phase; DH |
Gas Chromatography
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Lee's RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 489.99 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; Tend: 310. C |
References
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Parks, West, et al., 1946
Parks, G.S.; West, T.J.; Naylor, B.F.; Fujii, P.S.; McClaine, L.A.,
Thermal data on organic compounds. XXIII. Modern combustion data for fourteen hydrocarbons and five polyhydroxy alcohols,
J. Am. Chem. Soc., 1946, 68, 2524-2527. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Parks, Moore, et al., 1949
Parks, G.S.; Moore, G.E.; Renquist, M.L.; Naylor, B.F.; McClaine, L.A.; Fujii, P.S.; Hatton, J.A.,
Thermal data on organic compounds. XXV. Some heat capacity, entropy and free energy data for nine hydrocarbons of high molecular weight,
J. Am. Chem. Soc., 1949, 71, 3386-3389. [all data]
Verdonk, 1938
Verdonk, G.,
Calorimetric analysis of paraffins - Contributions to the general subject of "calorimetric analysis" by J. Straub and R.N.M.A. Malataux,
Chem. Weekblad, 1938, 35, 741-743. [all data]
Hoehne, 1981
Hoehne, G.W.H.,
Transitions of n-alkanes above the melting point,
Polym. Bull. (Berlin), 1981, 6, 41-46. [all data]
Chen, Keeran, et al., 2002
Chen, P.H.; Keeran, W.S.; Van Ausdale, W.A.; Schindler, D.R.; Roberts, D.W.,
Application of Lee retention indices to the confirmation of tentatively identified compounds from GC/MS analysis of environmental samples, Technical paper, Analytical Services Division, Environmental ScienceEngineering, Inc, PO Box 1703, Gainesville, FL 32602, 2002, 11. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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