Hexane, 2,2,4-trimethyl-
- Formula: C9H20
- Molecular weight: 128.2551
- IUPAC Standard InChI: InChI=1S/C9H20/c1-6-8(2)7-9(3,4)5/h8H,6-7H2,1-5H3
- IUPAC Standard InChIKey: AFTPEBDOGXRMNQ-UHFFFAOYSA-N
- CAS Registry Number: 16747-26-5
- 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: 2,2,4-Trimethylhexane
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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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 399.6 ± 0.4 | K | AVG | N/A | Average of 6 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 153.15 | K | N/A | Streiff, Zimmerman, et al., 1948 | Uncertainty assigned by TRC = 0.4 K; TRC |
| Tfus | 149.75 | K | N/A | Howard, Mears, et al., 1947 | Uncertainty assigned by TRC = 0.2 K; TRC |
| Tfus | 149.77 | K | N/A | Brooks, 1943 | Uncertainty assigned by TRC = 1.5 K; TRC |
| Tfus | 143.62 | K | N/A | Brooks, Cleaton, et al., 1937 | Uncertainty assigned by TRC = 0.6 K; identification somewhat uncertain; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 9.73 | kcal/mol | N/A | Reid, 1972 | AC |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 9.44 | 303. | A | Stephenson and Malanowski, 1987 | Based on data from 288. to 410. K.; AC |
| 9.80 | 278. | A | Stephenson and Malanowski, 1987 | Based on data from 238. to 393. K.; AC |
| 9.68 | 288. | IP | Osborn and Douslin, 1974 | Based on data from 238. to 303. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 238. to 303. | 4.30913 | 1528.134 | -42.976 | Osborn and Douslin, 1974 | Coefficents calculated by NIST from author's data. |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Streiff, Zimmerman, et al., 1948
Streiff, A.J.; Zimmerman, J.C.; Soule, L.F.; Butt, M.T.; Sedlak, V.A.; Willingham, C.B.; Rossini, F.D.,
Purification, Purity, and Freezing Points of 30 Hydrocarbons of the API-Standard and API-NBS Series,
J. Res. Natl. Bur. Stand. (U. S.), 1948, 41, 323. [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]
Brooks, 1943
Brooks, D.B.,
, Natl. Advis. Comm. Aeronaut., Rep. Natl. Bur. Stand., Was hington, D. C., 1943. [all data]
Brooks, Cleaton, et al., 1937
Brooks, D.B.; Cleaton, R.B.; Carter, F.R.,
Paraffin Hydrocarbons Isolated from Crude Synthetic Isooctane (2,2,4-Trimethylpentane),
J. Res. Natl. Bur. Stand. (U. S.), 1937, 19, 319. [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]
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]
Osborn and Douslin, 1974
Osborn, Ann G.; Douslin, Donald R.,
Vapor-pressure relations for 15 hydrocarbons,
J. Chem. Eng. Data, 1974, 19, 2, 114-117, https://doi.org/10.1021/je60061a022
. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point 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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