3-Pentanol, 3-(1,1-dimethylethyl)-2,2,4,4-tetramethyl-
- Formula: C13H28O
- Molecular weight: 200.3608
- IUPAC Standard InChIKey: LIUBOLYWYDGCSJ-UHFFFAOYSA-N
- CAS Registry Number: 41902-42-5
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Phase change data, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -98.02 ± 0.96 | kcal/mol | Ccb | Maskill and Steele, 1983 |
Phase change data
Go To: Top, Gas phase thermochemistry data, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 390.15 | K | N/A | Maskill and Steele, 1983, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Tfus | 368. | K | N/A | Bartlett and Schneider, 1945 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 15.1 ± 0.29 | kcal/mol | V | Maskill and Steele, 1983 | ALS |
ΔsubH° | 15.1 | kcal/mol | N/A | Maskill and Steele, 1983 | DRB |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.8198 | 390.15 | Maskill and Steele, 1983 | DH |
0.820 | 390. | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.1 | 390.15 | Maskill and Steele, 1983 | DH |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.721 | 302.17 | crystaline, II | crystaline, I | Maskill and Steele, 1983 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
5.7 | 302.17 | crystaline, II, Solid | crystaline, I, plastic | Maskill and Steele, 1983 | DH |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, 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. |
---|---|
Origin | D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY |
NIST MS number | 63736 |
References
Go To: Top, Gas phase thermochemistry data, 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.
Maskill and Steele, 1983
Maskill, H.; Steele, W.V.,
A thermochemical study of tri-tert-butylmethanol,
J. Chem. Thermodyn., 1983, 15, 481-487. [all data]
Maskill and Steele, 1983, 2
Maskill, H.; Steele, W.V.,
A thermochemical study of tri-tert-butylmethanol,
J. Chem. Thermodyn., 1983, 15, 481-7. [all data]
Bartlett and Schneider, 1945
Bartlett, P.D.; Schneider, A.,
The Synthesis of Tri-t-butylcarbinol and Other Highly Branched Alcohols by Means of Sodium,
J. Am. Chem. Soc., 1945, 67, 141. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tfus Fusion (melting) point ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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