Retene
- Formula: C18H18
- Molecular weight: 234.3355
- IUPAC Standard InChIKey: NXLOLUFNDSBYTP-UHFFFAOYSA-N
- CAS Registry Number: 483-65-8
- 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: Phenanthrene, 1-methyl-7-(1-methylethyl)-; Phenanthrene, 7-isopropyl-1-methyl-; Reten; 1-Methyl-7-isopropylphenanthrene; 7-Isopropyl-1-methylphenanthrene; NCI-C55390; 1-Methyl-7-(1-methylethyl)phenanthrene; Methyl-1-isopropyl-7-phenanthrene; NSC 26317; Retene(1-methyl-7-isopropylphenanthrene)
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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
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
294.6 | 298.1 | Eibert, 1944 | T = 25 to 200°C, equations only, in t°C. Cp(c) = 0.2620 + 0.001584t cal/g*K (15 to 60°C); Cp(liq) = 0.364 + 0.000661t cal/g*K (96 to 200°C). |
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:
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 663.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 369.0 | K | N/A | Eibert, 1944, 2 | Uncertainty assigned by TRC = 0.2 K; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
54.0 | 554. | A | Stephenson and Malanowski, 1987 | Based on data from 539. to 678. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
18.03 | 369. | Domalski and Hearing, 1996 | AC |
18.030 | 369.0 | Eibert, 1944 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
48.9 | 369.0 | Eibert, 1944 | DH |
Gas Chromatography
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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-52 | 2176. | Beernaert, 1979 | He, 50. C @ 5. min, 6. K/min; Column length: 33.3 m; Column diameter: 0.50 mm; Tend: 320. C |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 367.31 | Pedersen, Durant, et al., 2005 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 1.5 min, 6. K/min, 310. C @ 10. min |
Capillary | HP-1MS | 358.22 | Bastow, Singh, et al., 2001 | 50. m/0.2 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 300. C |
Capillary | ZB-5 | 355.93 | Bastow, Singh, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 300. C |
Capillary | SE-52 | 368.67 | Lee, Vassilaros, et al., 1979 | 12. m/0.3 mm/0.34 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
Lee's RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 368.22 | Zamperlini, Silva, et al., 1997 | 30. m/0.25 mm/0.25 μm, He; Program: 90C (1min) => 10C/min => 120C => 4C/min => 310C (20min) |
Capillary | OV-101 | 368.9 | Tucminen, Wickstrom, et al., 1986 | Program: not specified |
Capillary | SE-52 | 365.96 | Shlyakhov, 1984 | Program: not specified |
Capillary | SE-52 | 368.67 | Shlyakhov, 1984 | Program: not specified |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Eibert, 1944
Eibert, J.,
Thesis Washington University (St. Louis), 1944. [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]
Eibert, 1944, 2
Eibert, J.,
, Ph.D. Thesis, Washington Univ., St. Louis, 1944. [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]
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]
Beernaert, 1979
Beernaert, H.,
Gas Chromatographic Analysis of Polyclylic Aromatic Hydrocarbons,
J. Chromatogr., 1979, 173, 1, 109-118, https://doi.org/10.1016/S0021-9673(01)80450-7
. [all data]
Pedersen, Durant, et al., 2005
Pedersen, D.U.; Durant, J.L.; Taghizadeh, K.; Hemond, H.F.; Lafleur, A.L.; Cass, G.R.,
Human cell mutagenes in respirable airborne particles from the Northeastern United States. 2. Quantification of mutagenes and other organic compounds.,
Environ. Sci. Technol., 2005, 39, 24, 9547-9560, https://doi.org/10.1021/es050886c
. [all data]
Bastow, Singh, et al., 2001
Bastow, T.P.; Singh, R.K.; van Aarssen, B.G.K.; Alexander, R.; Kagi, R.I.,
2-Methylretene in sedimentary material: a new higher plant biomarker,
Org. Geochem., 2001, 32, 10, 1211-1217, https://doi.org/10.1016/S0146-6380(01)00085-7
. [all data]
Lee, Vassilaros, et al., 1979
Lee, M.L.; Vassilaros, D.L.; White, C.M.; Novotny, M.,
Retention Indices for Programmed-Temperature Capillary-Column Gas Chromatography of Polycyclic Aromatic Hydrocarbons,
Anal. Chem., 1979, 51, 6, 768-773, https://doi.org/10.1021/ac50042a043
. [all data]
Zamperlini, Silva, et al., 1997
Zamperlini, G.C.M.; Silva, M.R.S.; Vilegas, W.,
Identification of polycyclic aromatic hydrocarbons in sugar cane soot by gas chromatography-mass spectrometry,
Chromatographia, 1997, 46, 11/12, 655-663, https://doi.org/10.1007/BF02490527
. [all data]
Tucminen, Wickstrom, et al., 1986
Tucminen, A.; Wickstrom, K.; Pyysalo, H.,
Determination of Polycyclic Aromatic Compounds by GLC-Selected Ion Monitoring (SIM) Technique,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 8, 469-471, https://doi.org/10.1002/jhrc.1240090813
. [all data]
Shlyakhov, 1984
Shlyakhov, A.F.,
Gas chromatography in organic geochemistry, Nedra, Moscow, 1984, 221. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid Tboil Boiling point Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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