Heneicosane, 11-decyl-
- Formula: C31H64
- Molecular weight: 436.8399
- IUPAC Standard InChI: InChI=1S/C31H64/c1-4-7-10-13-16-19-22-25-28-31(29-26-23-20-17-14-11-8-5-2)30-27-24-21-18-15-12-9-6-3/h31H,4-30H2,1-3H3
- IUPAC Standard InChIKey: BCWYKEQUGMQGAP-UHFFFAOYSA-N
- CAS Registry Number: 55320-06-4
- 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: 11-Decylheneicosane; 11-n-Decylheneicosane
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -167.3 ± 2.2 | kcal/mol | Ccb | Parks, West, et al., 1946 | Heat of vaporization estimated by Cox and Pilcher, 1970; ALS |
| ΔfH°gas | -170.0 | kcal/mol | N/A | Knowlton and Huffman, 1944 | Value computed using ΔfHliquid° value of -853.4±8.0 kj/mol from Knowlton and Huffman, 1944 and ΔvapH° value of 142.2 kj/mol from Parks, West, et al., 1946.; DRB |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry 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:
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 |
|---|---|---|---|---|---|
| ΔfH°liquid | -201.3 ± 2.1 | kcal/mol | Ccb | Parks, West, et al., 1946 | Heat of vaporization estimated by Cox and Pilcher, 1970; ALS |
| ΔfH°liquid | -204.0 ± 1.9 | kcal/mol | Ccb | Knowlton and Huffman, 1944 | Reanalyzed by Cox and Pilcher, 1970, Original value = -204.4 kcal/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -4900.4 ± 2.0 | kcal/mol | Ccb | Parks, West, et al., 1946 | Heat of vaporization estimated by Cox and Pilcher, 1970; Corresponding ΔfHºliquid = -201.27 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -4897.7 ± 1.9 | kcal/mol | Ccb | Knowlton and Huffman, 1944 | Reanalyzed by Cox and Pilcher, 1970, Original value = -4897.3 kcal/mol; Corresponding ΔfHºliquid = -203.97 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 259.61 | cal/mol*K | N/A | Fischl, Naylor, et al., 1945 | Penn State entropy above. From Stanford data, with extrapolation of 218.0 J/mol*K, S = 1098.3 J/mol*K.; DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 227.0 | 300. | Fischl, Naylor, et al., 1945 | T = 12 to 296 K (Penn State), 80 to 297 K (Stanford); at 300 K, Cp = 949.8 J/mol*K (Penn State), 963.2 J/mol*K (Stanford).; DH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Parks, West, et al., 1946
Parks, G.S.; West, T.J.; Naylor, B.F.; Fujii, P.S.; McClaine, L.A.,
Thermal data on organic compounds. XXIII. Modern combustion data for fourteen hydrocarbons and five polyhydroxy alcohols,
J. Am. Chem. Soc., 1946, 68, 2524-2527. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Knowlton and Huffman, 1944
Knowlton, J.W.; Huffman, H.M.,
The heats of combustion of some substituted eicosanes, heneicosanes and docosanes,
J. Am. Chem. Soc., 1944, 66, 1492-1494. [all data]
Fischl, Naylor, et al., 1945
Fischl, F.B.; Naylor, B.G.; Ziemer, C.W.; Parks, G.S.; Aston, J.G.,
The heat capacity, heat of fusion and entropy of 11-n-decylheneicosane,
J. Am. Chem. Soc., 1945, 67, 2075-2079. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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