1-Propanol, 2,2-dimethyl-
- Formula: C5H12O
- Molecular weight: 88.1482
- IUPAC Standard InChIKey: KPSSIOMAKSHJJG-UHFFFAOYSA-N
- CAS Registry Number: 75-84-3
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: tert-Butylcarbinol; Neoamyl alcohol; Neopentanol; Neopentyl alcohol; 2,2-Dimethyl-1-propanol; (CH3)3CCH2OH; 2,2-Dimethylpropyl alcohol; tert-Amyl alcohol; 2,2-Dimethylpropanol; 2-Methyl-isobutanol; 2,2,2-Trimethylethanol
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Phase change data
Go To: Top, Mass spectrum (electron ionization), 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:
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
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 | 385. ± 3. | K | AVG | N/A | Average of 26 out of 27 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 327. | K | N/A | Rai, Singh, et al., 1987 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 325.7 | K | N/A | Murrill and Breed, 1970 | Crystal phase 1 phase; Uncertainty assigned by TRC = 3. K; TRC |
Tfus | 324.45 | K | N/A | McKenna, Tartar, et al., 1953 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tfus | 323.15 | K | N/A | Whitmore, 1938 | Uncertainty assigned by TRC = 1.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 51.8 ± 0.3 | kJ/mol | GS,B | Kulikov, Verevkin, et al., 2001 | Based on data from 274. to 312. K.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
47.5 | 345. | A | Stephenson and Malanowski, 1987 | Based on data from 330. to 387. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
2.9 | 328.2 | AC | Straka, van Genderen, et al., 2007 | Based on data from 10. to 370. K.; AC |
3.87 | 329.8 | N/A | Censký, Ruzicka, et al., 2003 | AC |
3.73 | 329.8 | N/A | Salud, López, et al., 1999 | AC |
3.5 | 328.1 | DSC | Granzow, 1996 | AC |
4.06 | 325. | N/A | Murrill and Breed, 1970, 2 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
13.43 | 146. | Parks, Huffman, et al., 1933 | CAL |
0.79 | 213. | ||
16.88 | 264. |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
4.463 | 242. | crystaline, II | crystaline, I | Murrill and Breed, 1970, 2 | DH |
4.057 | 325. | crystaline, I | liquid | Murrill and Breed, 1970, 2 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
18.4 | 242. | crystaline, II | crystaline, I | Murrill and Breed, 1970, 2 | DH |
12.5 | 325. | crystaline, I | liquid | Murrill and Breed, 1970, 2 | DH |
Mass spectrum (electron ionization)
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
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. |
---|---|
NIST MS number | 19479 |
References
Go To: Top, Phase change data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Rai, Singh, et al., 1987
Rai, U.S.; Singh, O.P.; Singh, N.B.,
Solidification behavior of organic eutectic, succinonitrile-neopenty alcohol system,
J. Chim. Phys. Phys.-Chim. Biol., 1987, 84, 483. [all data]
Murrill and Breed, 1970
Murrill, E.; Breed, L.W.,
Solid-solid phase transitions determined by differential scanning calorime- try. Part I. Tetrahedral Substances.,
Thermochim. Acta, 1970, 1, 239. [all data]
McKenna, Tartar, et al., 1953
McKenna, F.E.; Tartar, H.V.; Lingafelter, E.C.,
Studies of hemiacetal formation in alcohol - aldehyde systems: II refraction studies,
J. Am. Chem. Soc., 1953, 75, 604-7. [all data]
Whitmore, 1938
Whitmore, F.C.,
The Reducing Action of Grignard Reagents on Acyl Chlorides,
Recl. Trav. Chim. Pays-Bas, 1938, 57, 562. [all data]
Kulikov, Verevkin, et al., 2001
Kulikov, Dmitry; Verevkin, Sergey P.; Heintz, Andreas,
Determination of Vapor Pressures and Vaporization Enthalpies of the Aliphatic Branched C 5 and C 6 Alcohols,
J. Chem. Eng. Data, 2001, 46, 6, 1593-1600, https://doi.org/10.1021/je010187p
. [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]
Straka, van Genderen, et al., 2007
Straka, Martin; van Genderen, Aad; Ruzicka, Kvetoslav; Ruzicka, Vlastimil,
Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols,
J. Chem. Eng. Data, 2007, 52, 3, 794-802, https://doi.org/10.1021/je060411g
. [all data]
Censký, Ruzicka, et al., 2003
Censký, Miroslav; Ruzicka, Kvetoslav; Ruzicka, Vlastimil; Zábranský, Milan,
Heat capacities of alkanols,
Thermochimica Acta, 2003, 408, 1-2, 45-53, https://doi.org/10.1016/S0040-6031(03)00317-4
. [all data]
Salud, López, et al., 1999
Salud, Josep; López, David O.; Barrio, Maria; Tamarit, Josep Ll.,
Two-component systems of isomorphous orientationally disordered crystals. Part 1 Packing of the mixed crystals,
J. Mater. Chem., 1999, 9, 4, 909-916, https://doi.org/10.1039/a808258h
. [all data]
Granzow, 1996
Granzow, Bettina,
Hydrogen bonding and phase transitions of a group of alcohols derived from 2,2-dimethylpropane,
Journal of Molecular Structure, 1996, 381, 1-3, 127-131, https://doi.org/10.1016/0022-2860(96)09232-0
. [all data]
Murrill and Breed, 1970, 2
Murrill, E.; Breed, L.,
Solid-solid phase transitions determined by differential scanning calorimetry,
Thermochim. Acta, 1970, 1, 239-246. [all data]
Parks, Huffman, et al., 1933
Parks, G.S.; Huffman, H.M.; Barmore, M.,
Thermal Data on Organic Compounds. XI. The Heat Capacities, Entropies and Free Energies of Ten Compounds Containing Oxygen or Nitrogen,
J. Am. Chem. Soc., 1933, 55, 7, 2733, https://doi.org/10.1021/ja01334a016
. [all data]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion 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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