Pentane, 2,2,3,4-tetramethyl-
- Formula: C9H20
- Molecular weight: 128.2551
- IUPAC Standard InChIKey: VZFMYOCAEQDWDY-UHFFFAOYSA-N
- CAS Registry Number: 1186-53-4
- 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: 2,2,3,4-Tetramethylpentane
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Condensed 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 |
---|---|---|---|---|---|
ΔcH°liquid | -6122.2 ± 1.2 | kJ/mol | Ccb | Johnson, Prosen, et al., 1947 | Corresponding ΔfHºliquid = -277.7 kJ/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
Go To: Top, Condensed 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:
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 406.153 ± 0.009 | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 150.95 | K | N/A | Howard, Mears, et al., 1947 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 152.06 | K | N/A | Streiff, Murphy, et al., 1947 | Uncertainty assigned by TRC = 0.08 K; TRC |
Tfus | 152.06 | K | N/A | Streiff, Murphy, et al., 1946 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 592.6 ± 0.5 | K | N/A | Daubert, 1996 | |
Tc | 592.65 | K | N/A | Ambrose and Townsend, 1968 | Uncertainty assigned by TRC = 0.12 K; extrapolated back to zero time to correct for decomposition; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 26.0 ± 0.4 | bar | N/A | Daubert, 1996 | |
Pc | 26.02 | bar | N/A | Ambrose and Townsend, 1968 | Uncertainty assigned by TRC = 0.20 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 40.8 | kJ/mol | N/A | Reid, 1972 | See also Labbauf, Greenshields, et al., 1961.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
38.4 | 340. | A | Stephenson and Malanowski, 1987 | Based on data from 325. to 413. K. See also Forziati, Norris, et al., 1949.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
325.18 to 407.17 | 3.95975 | 1376.496 | -58.063 | Forziati, Norris, et al., 1949, 2 | Coefficents calculated by NIST from author's data. |
Mass spectrum (electron ionization)
Go To: Top, Condensed 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
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 | 2634 |
References
Go To: Top, Condensed 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.
Johnson, Prosen, et al., 1947
Johnson, W.H.; Prosen, E.J.; Rossini, F.D.,
Heats of combustion and isomerization of six nonanes,
J. Res. NBS, 1947, 38, 419-422. [all data]
Howard, Mears, et al., 1947
Howard, F.L.; Mears, T.W.; Fookson, A.; Pomerantz, P.; Brooks, D.B.,
Preparation and physical properties of several aliphatic hydrocarbons and intermediates,
J. Res. Natl. Bur. Stand. (U. S.), 1947, 38, 365. [all data]
Streiff, Murphy, et al., 1947
Streiff, A.J.; Murphy, E.T.; Cahill, J.C.; Flanagan, H.F.; Sedlak, V.A.; Willingham, C.B.; Rossini, F.D.,
Purification, Purity, and Freezing Points of 8 Nonanes, 11 Alkyl- cyclopentanes, 6 Alkylcyclohexanes, and 4 Butylbenzenes of the API-NBS Series,
J. Res. Natl. Bur. Stand. (U. S.), 1947, 38, 53. [all data]
Streiff, Murphy, et al., 1946
Streiff, A.J.; Murphy, E.T.; Cahill, J.C.; Soule, L.F.; Sedlak, V.A.; Willingham, C.B.; Rossini, F.D.,
, Am. Pet. Inst. Res. Proj. 6, unpublished, Natl. Bur. Stand., 1946. [all data]
Daubert, 1996
Daubert, T.E.,
Vapor-Liquid Critical Properties of Elements and Compounds. 5. Branched Alkanes and Cycloalkanes,
J. Chem. Eng. Data, 1996, 41, 365-372. [all data]
Ambrose and Townsend, 1968
Ambrose, D.; Townsend, R.,
Critical Temperatures and Pressures of Some Alkanes,
Trans. Faraday Soc., 1968, 64, 2622. [all data]
Reid, 1972
Reid, Robert C.,
Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00,
AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637
. [all data]
Labbauf, Greenshields, et al., 1961
Labbauf, A.; Greenshields, J.B.; Rossini, F.D.,
Heats of formation, combustion, and vaporization of the 35 nonanes and 75 decanes,
J. Chem. Eng. Data, 1961, 6, 261-263. [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]
Forziati, Norris, et al., 1949
Forziati, Alphonse F.; Norris, William R.; Rossini, Frederick D.,
Vapor pressures and boiling points of sixty API-NBS hydrocarbons,
J. RES. NATL. BUR. STAN., 1949, 43, 6, 555-17, https://doi.org/10.6028/jres.043.050
. [all data]
Forziati, Norris, et al., 1949, 2
Forziati, A.F.; Norris, W.R.; Rossini, F.D.,
Vapor Pressures and Boiling Points of Sixty API-NBS Hydrocarbons,
J. Res. Natl. Bur. Stand. (U.S.), 1949, 43, 6, 555-563, https://doi.org/10.6028/jres.043.050
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid 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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