β-Myrcene
- Formula: C10H16
- Molecular weight: 136.2340
- IUPAC Standard InChI: InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
- IUPAC Standard InChIKey: UAHWPYUMFXYFJY-UHFFFAOYSA-N
- CAS Registry Number: 123-35-3
- 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: 1,6-Octadiene, 7-methyl-3-methylene-; Myrcene; 7-Methyl-3-methylene-1,6-octadiene; 7-Methyl-3-methyleneoctadiene-(1,6); 2-Methyl-6-methylene-2,7-octadiene; 3-Methylene-7-methyl-1,6-octadiene; β-Geraniolene; 7-Methyl-3-methyleneocta-1,6-diene; beta-Myrcene; Myrcene, β-; NSC 406264; b-myrcene; β-mircene; 7-methyl-3-methylene-1,6-octadiene (myrcene); 7-methyl-3-methylene-1,6-octadiene (β-myrcene)
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Condensed phase thermochemistry data
Go To: Top, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°liquid | -6236.3 ± 2.1 | kJ/mol | Ccb | Hawkins and Eriksen, 1954 | Reanalyzed by Cox and Pilcher, 1970, Original value = -6235.8 ± 1.0 kJ/mol; Corresponding ΔfHºliquid = 14.5 kJ/mol (simple calculation by NIST; no Washburn corrections) |
Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 440.2 | K | N/A | Weast and Grasselli, 1989 | BS |
| Tboil | 445. | K | N/A | Semmler, 1901 | Uncertainty assigned by TRC = 5. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 50.6 | kJ/mol | GC | van Roon, Parsons, et al., 2002 | AC |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 45.7 | 302. | A | Stephenson and Malanowski, 1987 | Based on data from 287. to 445. K. See also Stull, 1947.; AC |
| 47.0 | 318. | N/A | Bukala, Majewski, et al., 1954 | Based on data from 303. to 363. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 287.7 to 444.7 | 4.56112 | 1849.102 | -38.899 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
References
Go To: Top, 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.
Hawkins and Eriksen, 1954
Hawkins, J.E.; Eriksen, W.T.,
Physical and thermodynamic properties of terpenes. II. The heats of combustion of some terpene hydrocarbons,
J. Am. Chem. Soc., 1954, 76, 2669-26. [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]
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]
Semmler, 1901
Semmler, F.W.,
Chem. Ber., 1901, 34, 3126. [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]
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]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Bukala, Majewski, et al., 1954
Bukala, M.; Majewski, J.; Rodzinski, W.,
Przem. Chem., 1954, 10, 6. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion 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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