trans-Bicyclo[3.3.0]octane
- Formula: C8H14
- Molecular weight: 110.1968
- IUPAC Standard InChIKey: AEBWATHAIVJLTA-ZKCHVHJHSA-N
- CAS Registry Number: 5597-89-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Gas phase thermochemistry data
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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -67. ± 3. | kJ/mol | Ccb | Chang, McNally, et al., 1970 | ALS |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
132.17 | 298.15 | Chang S., 1970 | These values were calculated by a method of force field; their uncertainties may exceed 5-10 J/mol*K.; GT |
185.60 | 400. | ||
234.22 | 500. |
Condensed phase thermochemistry data
Go To: Top, Gas 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 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 | -109. ± 2. | kJ/mol | Ccb | Chang, McNally, et al., 1970 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -5040. ± 2. | kJ/mol | Ccb | Chang, McNally, et al., 1970 | Corresponding ΔfHºliquid = -109. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -5041.7 ± 5.0 | kJ/mol | Ccb | Barrett and Linstead, 1936 | Reanalyzed by Cox and Pilcher, 1970, Original value = -5037. ± 13. kJ/mol; Corresponding ΔfHºliquid = -107.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
180.3 | 308. | Chang, McNally, et al., 1970 | T = 308, 334 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
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 405. | K | N/A | Desty and Whyman, 1957 | Uncertainty assigned by TRC = 2. K; TRC |
Tboil | 409.4 | K | N/A | Roberts and Gorham, 1952 | Uncertainty assigned by TRC = 2. K; TRC |
Tboil | 407. | K | N/A | Barrett and Linstead, 1936, 2 | Uncertainty assigned by TRC = 3. K; TRC |
Tboil | 405. | K | N/A | Barrett and Linstead, 1936, 2 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 243. | K | N/A | Barrett and Linstead, 1936, 2 | Uncertainty assigned by TRC = 3. K; TRC |
Tfus | 244. | K | N/A | Barrett and Linstead, 1936, 2 | Uncertainty assigned by TRC = 3. K; TRC |
Tfus | 237. | K | N/A | Barrett and Linstead, 1935 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 42.7 ± 0.8 | kJ/mol | V | Chang, McNally, et al., 1970 | ALS |
ΔvapH° | 42.0 | kJ/mol | N/A | Chang, McNally, et al., 1970 | DRB |
ΔvapH° | 42.7 ± 0.8 | kJ/mol | N/A | Chang, McNally, et al., 1970 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
405.2 | 1.01 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
41.4 | 309. | A | Stephenson and Malanowski, 1987 | Based on data from 298. to 320. K.; AC |
41.3 ± 0.4 | 320. | N/A | Chang, McNally, et al., 1970 | AC |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chang, McNally, et al., 1970
Chang, Sho-ju.; McNally, D.; Shary-Tehrany, S.; Hickey, S.M.J.; Boyd, R.H.,
The heats of combustion and strain energies of bicylo[n.m.O]alkanes,
J. Am. Chem. Soc., 1970, 92, 3109-3118. [all data]
Chang S., 1970
Chang S.,
The heats of combustion and strain energies of bicyclo[n.m.0]alkanes,
J. Am. Chem. Soc., 1970, 92, 3109-3118. [all data]
Barrett and Linstead, 1936
Barrett, J.W.; Linstead, R.P.,
Fused carbon rings. Part X. Some fundamental properties of the 0:3:3-bicycloOctane ring,
J. Chem. Soc., 1936, 611-616. [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]
Desty and Whyman, 1957
Desty, D.H.; Whyman, B.H.F.,
Anal. Chem., 1957, 29, 320. [all data]
Roberts and Gorham, 1952
Roberts, J.D.; Gorham, W.F.,
Syntheses of Some Bicyclo[3.3.0]octane Derivatives,
J. Am. Chem. Soc., 1952, 74, 2278. [all data]
Barrett and Linstead, 1936, 2
Barrett, J.W.; Linstead, R.P.,
J. Chem. Soc., 1936, 1936, 611. [all data]
Barrett and Linstead, 1935
Barrett, J.W.; Linstead, R.P.,
J. Chem. Soc., 1935, 1935, 436. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid Tboil Boiling point Tfus Fusion (melting) point 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 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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