Pentane, 3,3-diethyl-
- Formula: C9H20
- Molecular weight: 128.2551
- IUPAC Standard InChIKey: BGXXXYLRPIRDHJ-UHFFFAOYSA-N
- CAS Registry Number: 1067-20-5
- 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: Tetraethylmethane; 3,3-Diethylpentane
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°gas | 104.33 | cal/mol*K | N/A | Finke H.L., 1976 |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
36.781 | 200. | Scott D.W., 1974 | Recommended values were obtained from the consistent correlation scheme for alkanes [ Scott D.W., 1974, 2, Scott D.W., 1974]. This approach gives a good agreement with experimental data available for alkanes. However, large uncertainties could be expected at high temperatures. |
48.131 | 273.15 | ||
51.8 ± 1.0 | 298.15 | ||
52.070 | 300. | ||
66.040 | 400. | ||
78.511 | 500. | ||
89.300 | 600. | ||
98.599 | 700. | ||
106.50 | 800. | ||
113.40 | 900. | ||
119.30 | 1000. | ||
124.50 | 1100. | ||
129.00 | 1200. | ||
133.00 | 1300. | ||
137.00 | 1400. | ||
140.00 | 1500. |
Condensed phase 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔcH°liquid | -1463.79 ± 0.38 | kcal/mol | Ccb | Johnson, Prosen, et al., 1947 | Corresponding ΔfHºliquid = -65.82 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 79.68 | cal/mol*K | N/A | Finke, Messerly, et al., 1976 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
66.49 | 298.15 | Fuchs and Peacock, 1979 | DH |
66.63 | 298.15 | Finke, Messerly, et al., 1976 | T = 10 to 400 K.; DH |
62.36 | 260. | Staveley, Warren, et al., 1954 | T = 90 to 260 K.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Henry's Law 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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 | 419.3 ± 0.4 | K | AVG | N/A | Average of 12 out of 13 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 241. ± 2. | K | AVG | N/A | Average of 13 out of 14 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 240.1 | K | N/A | Finke, Messerly, et al., 1976, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.03 K; TRC |
Ttriple | 240.13 | K | N/A | Staveley, Warren, et al., 1954, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC |
Ttriple | 240.11 | K | N/A | Waddington, 1950 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.04 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 10.05 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 10.17 ± 0.08 | kcal/mol | C | Fuchs and Peacock, 1979 | ALS |
ΔvapH° | 10.2 ± 0.07 | kcal/mol | GCC | Fuchs and Peacock, 1979 | AC |
ΔvapH° | 10.4 | kcal/mol | N/A | Reid, 1972 | See also Labbauf, Greenshields, et al., 1961.; AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
9.51 | 350. | A | Stephenson and Malanowski, 1987 | Based on data from 335. to 426. K. See also Forziati, Norris, et al., 1949.; AC |
8.272 | 419.4 | N/A | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
336.03 to 420.34 | 4.02232 | 1458.142 | -56.803 | Forziati, Norris, et al., 1949, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.412 | 240.1 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.554 | 208.3 | Domalski and Hearing, 1996 | CAL |
0.920 | 210.4 | ||
10.04 | 240.1 |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.1156 | 208.25 | crystaline, III | crystaline, II | Finke, Messerly, et al., 1976 | DH |
0.1937 | 210.4 | crystaline, II | crystaline, I | Finke, Messerly, et al., 1976 | DH |
2.41150 | 240.10 | crystaline, I | liquid | Finke, Messerly, et al., 1976 | DH |
0.3040 | 210.1 | crystaline, II | crystaline, I | Staveley, Warren, et al., 1954 | Combined heats of transition for multiple phases.; DH |
2.3979 | 240.13 | crystaline, I | liquid | Staveley, Warren, et al., 1954 | Combined entropies of fusion and transition.; DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.554 | 208.25 | crystaline, III | crystaline, II | Finke, Messerly, et al., 1976 | DH |
0.920 | 210.4 | crystaline, II | crystaline, I | Finke, Messerly, et al., 1976 | DH |
10.04 | 240.10 | crystaline, I | liquid | Finke, Messerly, et al., 1976 | DH |
11.43 | 240.13 | crystaline, I | liquid | Staveley, Warren, et al., 1954 | Combined; DH |
Henry's Law 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.00015 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Finke H.L., 1976
Finke H.L.,
Low-temperature thermal quantities for five alkyl-substituted pentanes,
J. Chem. Thermodyn., 1976, 8, 965-983. [all data]
Scott D.W., 1974
Scott D.W.,
Chemical Thermodynamic Properties of Hydrocarbons and Related Substances. Properties of the Alkane Hydrocarbons, C1 through C10 in the Ideal Gas State from 0 to 1500 K. U.S. Bureau of Mines, Bulletin 666, 1974. [all data]
Scott D.W., 1974, 2
Scott D.W.,
Correlation of the chemical thermodynamic properties of alkane hydrocarbons,
J. Chem. Phys., 1974, 60, 3144-3165. [all data]
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]
Finke, Messerly, et al., 1976
Finke, H.L.; Messerly, J.F.; Douslin, D.R.,
Low-temperature thermal quantities for five alkyl-substituted pentanes,
J. Chem. Thermodynam., 1976, 8, 965-983. [all data]
Fuchs and Peacock, 1979
Fuchs, R.; Peacock, L.A.,
Heats of vaporization and gaseous heats of formation of some five- and six-membered ring alkenes,
Can. J. Chem., 1979, 57, 2302-2304. [all data]
Staveley, Warren, et al., 1954
Staveley, L.A.K.; Warren, J.B.; Paget, H.P.; Dowrick, D.J.,
Some thermodynamic properties of compounds of the formula MX4. Part II. Tetra-alkyl compounds, 1954, J. [all data]
Finke, Messerly, et al., 1976, 2
Finke, H.L.; Messerly, J.F.; Douslin, D.R.,
Low-Temp. Thermal Quantities for Five Alkyl-Substituted Pentanes,
J. Chem. Thermodyn., 1976, 8, 965. [all data]
Staveley, Warren, et al., 1954, 2
Staveley, L.A.K.; Warren, J.B.; Paget, H.P.; Dowrick, D.J.,
Some Thermodynamic Properties of Compounds of the Formula MX4 II. Tetraalkyl Compounds,
J. Chem. Soc., 1954, 1954, 1992. [all data]
Waddington, 1950
Waddington, G.,
Personal Commun., U. S. Bur. Mines, Bartlesville, OK, March 2, 1950. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [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]
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, Condensed phase thermochemistry data, Phase change data, Henry's Law data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid S°gas Entropy of gas at standard conditions S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°liquid Enthalpy of combustion of liquid at standard conditions 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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