Bicyclo[2.2.1]heptane, 2-methyl-, exo-
- Formula: C8H14
- Molecular weight: 110.1968
- IUPAC Standard InChIKey: KWSARSUDWPZTFF-JECWYVHBSA-N
- CAS Registry Number: 872-78-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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- Other names: Norbornane, 2-methyl-, exo-; exo-2-Methylbicyclo[2.2.1]heptane; exo-2-Methylnorbornane; exo-2-methylbicyclo-(2,2,1)-heptane
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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 |
---|---|---|---|---|---|
ΔfH°liquid | -29.27 ± 0.28 | kcal/mol | Ccb | Kozina, 1976 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1201.35 ± 0.26 | kcal/mol | Ccb | Kozina, 1976 | Corresponding ΔfHºliquid = -29.26 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 58.84 | cal/mol*K | N/A | Seregin, Goroshko, et al., 1964 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
44.41 | 298.15 | Seregin, Goroshko, et al., 1964 | T = 12 to 310 K.; DH |
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Ttriple | 164.10 | K | N/A | Seregin, Goroshko, et al., 1964, 2 | Uncertainty assigned by TRC = 0.02 K; TRC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.0033 | 164.10 | Seregin, Goroshko, et al., 1964 | Includes effects of transition just below melting point.; DH |
2.00 | 164.1 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
12.2 | 164.10 | Seregin, Goroshko, et al., 1964 | Includes; DH |
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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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
By formula: 2H2 + C8H10 = C8H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -74.7 ± 0.1 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase |
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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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 | KONINKLIJKE SHELL LABORATORIUM AMSTERDAM |
NIST MS number | 20120 |
Gas Chromatography
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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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Squalane | 50. | 815. | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | Squalane | 70. | 820.8 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, NIST Subscription Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kozina, 1976
Kozina, M.P.,
Enthalpies of combustion and formation of bicyclic and polycyclic hydrocarbons,
Sovrem. Probl. Fiz. Khim., 1976, 9, 198-225. [all data]
Seregin, Goroshko, et al., 1964
Seregin, E.A.; Goroshko, N.N.; Kolesov, V.P.; Belikova, N.A.; Skuratov, S.M.; Plate, A.F.,
Low temperature heat capacity and thermodynamic functions for endo- and exo-2-methylbicyclo[2,2,1]heptane,
Dokl. Akad. Nauk, 1964, SSR 159, 1381-1384. [all data]
Seregin, Goroshko, et al., 1964, 2
Seregin, E.A.; Goroshko, N.N.; Kolesov, V.P.; Belikova, N.A.; Skuratov, S.M.; Plate, A.F.,
Specific heat of endo- and exo-2-methyl-bicyclo-(2,2,1-heptanes at low temperatures, and their thermodynamic functions,
Dokl. Akad. Nauk SSSR, 1964, 159, 1381-4. [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]
Roth, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R.,
Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld,
Chem. Ber., 1991, 124, 2499-2521. [all data]
Lunskii and Paizanskaya, 1988
Lunskii, M.Kh.; Paizanskaya, I.L.,
Identification of hydrocarbons C1-C9 of petrol fractions of oils and condensates in the use of capillary columns with dinonylphthalate,
Zh. Anal. Khim., 1988, 43, 127-135. [all data]
Notes
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- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Ttriple Triple point temperature ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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