Dotriacontane
- Formula: C32H66
- Molecular weight: 450.8664
- 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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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, NIST Subscription Links, 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°gas | -696.6 ± 9.2 | kJ/mol | Ccb | Parks, West, et al., 1946 | Heat of formation derived by Cox and Pilcher, 1970 |
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 | -967.8 ± 8.8 | kJ/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 | -21056.8 ± 8.4 | kJ/mol | Ccb | Parks, West, et al., 1946 | Reanalyzed by Cox and Pilcher, 1970, Original value = -21055.2 ± 8.4 kJ/mol; Heat of formation derived by Cox and Pilcher, 1970; Corresponding ΔfHºsolid = -967.88 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 851.4 | J/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 (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
1356. | 348. | Verdonk, 1938 | DH |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
806. | 300. | Hoehne, 1981 | T = 300 to 500 K. Cv = 1.77 J/g*K.; DH |
877.4 | 298.15 | Parks, Moore, et al., 1949 | T = 80 to 300 K.; DH |
1059. | 338. | Verdonk, 1938 | crystaline, α phase; DH |
1038. | 333. | Verdonk, 1938 | crystaline, β phase; DH |
Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 740.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 343. ± 1. | K | AVG | N/A | Average of 38 out of 39 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 162.5 | kJ/mol | CGC | Chickos and Hanshaw, 2004 | Based on data from 534. to 565. K.; AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 271. ± 3. | kJ/mol | E | Parks, West, et al., 1946 | Heat of formation derived by Cox and Pilcher, 1970; ALS |
ΔsubH° | 271.2 | kJ/mol | N/A | Parks, West, et al., 1946 | DRB |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
147. ± 1. | 456. | TE | Piacente, Fontana, et al., 1994 | Based on data from 437. to 477. K.; AC |
130.5 | 376. | A | Stephenson and Malanowski, 1987 | Based on data from 361. to 395. K.; AC |
116. | 535. | A,E | Stephenson and Malanowski, 1987 | Based on data from 510. to 741. K. See also Kudchadker and Zwolinski, 1966.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
79.74 | 341.9 | DSC | Tozaki, Inaba, et al., 2003 | AC |
76.57 | 343.5 | N/A | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
122.18 | 338.7 | Domalski and Hearing, 1996 | CAL |
222.93 | 343.5 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
41.376 | 338.65 | crystaline, II | crystaline, I | Company, 1973 | DH |
76.567 | 343.45 | crystaline, I | liquid | Company, 1973 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
122.2 | 338.65 | crystaline, II | crystaline, I | Company, 1973 | DH |
222.9 | 343.45 | crystaline, I | liquid | Company, 1973 | DH |
Mass spectrum (electron ionization)
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW- 413 |
NIST MS number | 228956 |
Gas Chromatography
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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 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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, NIST Subscription Links, 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]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Chickos and Hanshaw, 2004
Chickos, James S.; Hanshaw, William,
Vapor Pressures and Vaporization Enthalpies of the n -Alkanes from C 31 to C 38 at T = 298.15 K by Correlation Gas Chromatography,
J. Chem. Eng. Data, 2004, 49, 3, 620-630, https://doi.org/10.1021/je030236t
. [all data]
Piacente, Fontana, et al., 1994
Piacente, Vincenzo; Fontana, Danilo; Scardala, Paolo,
Enthalpies of Vaporization of a Homologous Series of n-Alkanes Determined from Vapor Pressure Measurements,
J. Chem. Eng. Data, 1994, 39, 2, 231-237, https://doi.org/10.1021/je00014a009
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Kudchadker and Zwolinski, 1966
Kudchadker, A.P.; Zwolinski, B.J.,
Vapor Pressure and Boiling Points of Normal Alkanes, C 21 to C 100 .,
J. Chem. Eng. Data, 1966, 11, 2, 253-255, https://doi.org/10.1021/je60029a039
. [all data]
Tozaki, Inaba, et al., 2003
Tozaki, Ken-ichi; Inaba, Hideaki; Hayashi, Hideko; Quan, Chanhji; Nemoto, Norio; Kimura, Tsunehisa,
Phase transitions of n-C32H66 measured by means of high resolution and super-sensitive DSC,
Thermochimica Acta, 2003, 397, 1-2, 155-161, https://doi.org/10.1016/S0040-6031(02)00273-3
. [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]
Company, 1973
Company, J.C.,
Measurement and interpretation of crystallization equilibriums of heavy paraffin and aromatic hydrocarbon solutions,
Chem. Eng. Sci., 1973, 28, 318-323. [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
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- 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) Tboil Boiling point Tfus Fusion (melting) point ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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