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(+)-2-Bornanone

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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 by: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
solid,1 bar69.254cal/mol*KN/ANagumo, Matsuo, et al., 1989crystaline, I phase; Annealed sample.

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
59.11300.13Nagumo, Matsuo, et al., 1989crystaline, I phase; T = 14 to 375 K. Unsmoothed experimental datum.
58.1259.White and Morgan, 1935crystaline, I phase; T = 213 to 259 K.

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
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tfus451.8KN/AAndersson and Ross, 1992Crystal phase 1 phase; Uncertainty assigned by TRC = 0.5 K; TRC
Tfus463.38KN/ADonnelly, Drewes, et al., 1990Uncertainty assigned by TRC = 0.2 K; TRC
Tfus452.KN/AMjojo, 1979Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Deltavap13.2kcal/molGCvan Roon, Parsons, et al., 2002AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
1.3452.DSCMjojo, 1979, 2AC

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
244.19crystaline, IIcrystaline, INagumo, Matsuo, et al., 1989DH

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
1.671243.9crystaline, IIcrystaline, ISchfer, 1953DH
1.859243.crystaline, IIcrystaline, IWhite and Morgan, 1935DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
6.86243.9crystaline, IIcrystaline, ISchfer, 1953DH
7.65243.crystaline, IIcrystaline, IWhite and Morgan, 1935DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, 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: 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 Japan AIST/NIMC Database- Spectrum MS-NW-1984
NIST MS number 230538

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-51144.Song, Sawamura, et al., 200030. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 70. C; Tend: 230. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51141.Wang, Finn, et al., 200530. m/0.32 mm/1. «mu»m, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1528.Choi, 200560. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax1529.Choi and Sawamura, 200060. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min

Van Den Dool and Kratz RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryStabilwax1509.Wang, Finn, et al., 200530. m/0.32 mm/1. «mu»m, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryDB-5 MS1121.Purushothaman and Ravi, 201330. m/0.25 mm/0.25 «mu»m, Helium; Program: 70 0C 5 0C/min -> 120 0C 10 0C/min -> 280 0C (20 min)
Capillary5 % Phenyl methyl siloxane1158.Huang, Qin, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: 50 0C (2 min) 10 0C/min -> 150 0C 15 0C/min -> 300 0C (10 min)

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1527.Choi, 200460. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax1532.Tu, Thanh, et al., 200260. m/0.25 mm/0.25 «mu»m, N2, 2. K/min; Tstart: 70. C; Tend: 230. C

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Nagumo, Matsuo, et al., 1989
Nagumo, T.; Matsuo, T.; Suga, H., Thermodynamic study on camphor crystals, Thermochim. Acta, 1989, 139, 121-132. [all data]

White and Morgan, 1935
White, A.H.; Morgan, S.O., Transitions in camphor and chemically related compounds. II. Vibration of atomic groups, J. Am. Chem. Soc., 1935, 57, 2078-2086. [all data]

Andersson and Ross, 1992
Andersson, O.; Ross, R.G., Thermal conductivity of (+)- and (±)-camphor at pressures up to 0.5 GPa and temperatures down to 40 K, Mol. Phys., 1992, 76, 433-44. [all data]

Donnelly, Drewes, et al., 1990
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W., Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry, Thermochim. Acta, 1990, 167, 2, 155, https://doi.org/10.1016/0040-6031(90)80476-F . [all data]

Mjojo, 1979
Mjojo, C.C., Order-disorder phenomena: part 2. order-disorder phase equilibria in d-and l-systems of camphor and related compounds., J. Chem. Soc., Faraday Trans. 2, 1979, 75, 692-703. [all data]

van Roon, Parsons, et al., 2002
van Roon, André; Parsons, John R.; Govers, Harrie A.J., Gas chromatographic determination of vapour pressure and related thermodynamic properties of monoterpenes and biogenically related compounds, Journal of Chromatography A, 2002, 955, 1, 105-115, https://doi.org/10.1016/S0021-9673(02)00200-5 . [all data]

Mjojo, 1979, 2
Mjojo, Chodziwadziwa C., Order?disorder phenomena. Part 2.?Order?disorder phase equilibria in D- and L-systems of camphor and related compounds, J. Chem. Soc., Faraday Trans. 2, 1979, 75, 692, https://doi.org/10.1039/f29797500692 . [all data]

Schfer, 1953
Schfer, K., Fenomenos de orden y desorden en solidos, An. R. Soc. Esp. Fis. Quim. Ser., 1953, B 49, 161-174. [all data]

Song, Sawamura, et al., 2000
Song, H.S.; Sawamura, M.; Ito, T.; Kawashimo, K.; Ukeda, H., Quantitative determination of characteric flavour of Citrus junos (yuzu) peel oil, Flavour Fragr. J., 2000, 15, 4, 245-250, https://doi.org/10.1002/1099-1026(200007/08)15:4<245::AID-FFJ904>3.0.CO;2-V . [all data]

Wang, Finn, et al., 2005
Wang, Y.; Finn, C.; Qian, M.C., Impact of Growing Environment on Chickasaw Blackberry ( Rubus L.) Aroma Evaluated by Gas Chromatography Olfactometry Dilution Analysis, J. Agric. Food Chem., 2005, 53, 9, 3563-3571, https://doi.org/10.1021/jf048102m . [all data]

Choi, 2005
Choi, H.-S., Characteristic odor components of kumquat (Fortunella japonica Swingle) peel oil, J. Agric. Food Chem., 2005, 53, 5, 1642-1647, https://doi.org/10.1021/jf040324x . [all data]

Choi and Sawamura, 2000
Choi, H.-S.; Sawamura, M., Composition of the essential oil of Citrus tamurana Hort. ex Tanaka (Hyuganatsu), J. Agric. Food Chem., 2000, 48, 10, 4868-4873, https://doi.org/10.1021/jf000651e . [all data]

Purushothaman and Ravi, 2013
Purushothaman, D.N.; Ravi, S., GC-MS analusis of essential oil obtained from Heracleum candolleanum (Wight et Arn), J. Pharmacy Res., 2013, 6, 1, 155-157, https://doi.org/10.1016/j.jopr.2012.11.032 . [all data]

Huang, Qin, et al., 2009
Huang, B.; Qin, L.; Chu, Q.; Zhang, Q.; Gao, L.; Zheng, H., Comparison of headspace SPME with hydrodistillation and SFE for analysis of the volatile components of the roots of Valeriana officinalis var. latifolia, Chromatographia, 2009, 69, 5/6, 489-496, https://doi.org/10.1365/s10337-008-0921-y . [all data]

Choi, 2004
Choi, H.-S., Aroma evaluation of an aquatic herb, changpo (Acorus calamus Var. angustatus Bess), by AEDA and SPME, J. Agric. Food Chem., 2004, 52, 26, 8099-8104, https://doi.org/10.1021/jf040239p . [all data]

Tu, Thanh, et al., 2002
Tu, N.T.M.; Thanh, L.X.; Une, A.; Ukeda, H.; Sawamura, M., Volatile constituents of Vietnamese pummelo, orange, tangerine and lime peel oils, Flavour Fragr. J., 2002, 17, 3, 169-174, https://doi.org/10.1002/ffj.1076 . [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References