3-Pentanol, 2,2,4,4-tetramethyl-


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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil439. ± 3.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus325.KN/APetrov, Kao, et al., 1960Uncertainty assigned by TRC = 3. K; TRC
Tfus325.KN/APetrov, Sokolova, et al., 1960Uncertainty assigned by TRC = 3. K; TRC
Tfus320.15KN/AZeiss and Tsutsui, 1953Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Δvap62.7 ± 0.9kJ/molN/AVerevkin, 1998AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
7.3322.Domalski and Hearing, 1996AC

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
1.900263.crystaline, IIcrystaline, IBator, Jakubas, et al., 1990DH
7.300322.crystaline, IliquidBator, Jakubas, et al., 1990DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
7.03263.crystaline, IIcrystaline, IBator, Jakubas, et al., 1990DH
22.8322.crystaline, IliquidBator, Jakubas, et al., 1990DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction 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 by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C9H19O- + Hydrogen cation = 3-Pentanol, 2,2,4,4-tetramethyl-

By formula: C9H19O- + H+ = C9H20O

Quantity Value Units Method Reference Comment
Δr1538. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr1510. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale

Gas phase ion energetics 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 by: John E. Bartmess

De-protonation reactions

C9H19O- + Hydrogen cation = 3-Pentanol, 2,2,4,4-tetramethyl-

By formula: C9H19O- + H+ = C9H20O

Quantity Value Units Method Reference Comment
Δr1538. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr1510. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale

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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Mass 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 Chemical Concepts
NIST MS number 156549

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References

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), NIST Subscription Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Petrov, Kao, et al., 1960
Petrov, A.D.; Kao, C.L.; Semenkin, V.M., Reaction of 2,2,3,3-Tetramethyl-4-pentanone with Alkyl Lithiums, Zh. Obshch. Khim., 1960, 30, 363-9. [all data]

Petrov, Sokolova, et al., 1960
Petrov, A.D.; Sokolova, E.B.; Kao, C.L., Reaction of tert-Butyllithium with Esters of Acids, Zh. Obshch. Khim., 1960, 30, 1107. [all data]

Zeiss and Tsutsui, 1953
Zeiss, H.H.; Tsutsui, M., The Carbon-Oxygen Absorption Band in the Infrared Spectra of Alcohols, J. Am. Chem. Soc., 1953, 75, 897. [all data]

Verevkin, 1998
Verevkin, Sergey P., Structural Chemistry, 1998, 9, 5, 375-382, https://doi.org/10.1023/A:1022471228499 . [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]

Bator, Jakubas, et al., 1990
Bator, G.; Jakubas, R.; Malarski, Z.; GAlewski, Z.; Matuszewski, J.; Miniewicz, A., Phase transition in solid 2,2,4,4-tetramethylpentan-3-ol (TMP), J. Mol. Struct., 1990, 240, 39-46. [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]


Notes

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