Furan, 2-pentyl-

Formula: C₉H₁₄O
Molecular weight: 138.2069
IUPAC Standard InChI: InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
IUPAC Standard InChIKey: YVBAUDVGOFCUSG-UHFFFAOYSA-N
CAS Registry Number: 3777-69-3
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: 2-n-Pentylfuran; 2-Amylfuran; 2-Pentylfuran; 2-Pentylfurane; Amyl furan (2-Pentyl furan); furane, 2-pentyl
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
- Mass spectrum (electron ionization)
- Gas Chromatography
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Van Den Dool and Kratz RI, non-polar column, temperature ramp

Go To: Top, References, Notes

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SPB-5	DB-5	DB-5	DB-Petro	DB-Petro
Column length (m)	60.	30.	60.	50.	50.
Carrier gas		He
Substrate
Column diameter (mm)	0.32	0.25	0.32	0.2	0.2
Phase thickness (μm)	1.	0.25	1.	0.5	0.5
T_start (C)	40.	60.	40.	50.	50.
T_end (C)	230.	240.	260.	270.	270.
Heat rate (K/min)	3.	3.	4.	2.	2.
Initial hold (min)	2.		2.
Final hold (min)	10.		10.
I	993.	993.	994.	977.1	977.1
Reference	Engel and Ratel, 2007	Flamini, Cioni, et al., 2007	Methven L., Tsoukka M., et al., 2007	Pang T., Zhu S., et al., 2007	Pang T., Zhu S., et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	HP-5	HP-5	HP-5MS	CP Sil 8 CB
Column length (m)	30.	30.	30.	30.	50.
Carrier gas	He	N2	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25
T_start (C)	80.	60.	60.	60.	60.
T_end (C)	300.	220.	260.	280.	220.
Heat rate (K/min)	4.	5.	3.	3.	4.
Initial hold (min)		10.			5.
Final hold (min)					30.
I	993.8	993.	990.	987.	988.
Reference	Zeng, Zhao, et al., 2007	Flamini, Tebano, et al., 2006	Javidnia K., Miri R., et al., 2006	Kukic J., Petrovic S., et al., 2006	Mahadevan and Farmer, 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	HP-5MS	HP-5	CP Sil 5 CB	CP Sil 5 CB
Column length (m)	30.	30.	30.	25.	25.
Carrier gas	He	He	He	H2	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25		0.4
T_start (C)	60.	60.	50.	80.	80.
T_end (C)	280.	280.	220.	270.	270.
Heat rate (K/min)	3.	4.	3.	10.	10.
Initial hold (min)		5.
Final hold (min)			20.
I	970.	988.	974.	981.	981.
Reference	Pavlovic, Kovacevic, et al., 2006	Saroglou, Dorizas, et al., 2006	Xian Q., Chen H., et al., 2006	Ziegenbein, Hanssen, et al., 2006	Ziegenbein, Hanssen, et al., 2006, 2
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	CP-Sil 8CB-MS	HP-5	HP-5MS	HP-5
Column length (m)	30.	0.	30.	30.	25.
Carrier gas	N2	He	N2	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.2
Phase thickness (μm)	0.25	0.25	0.25	0.25	1.
T_start (C)	60.	40.	60.	60.	40.
T_end (C)	220.	280.	220.	250.	280.
Heat rate (K/min)	5.	4.	5.	4.	5.
Initial hold (min)	10.	2.	10.	2.
Final hold (min)		5.		20.	5.
I	994.	993.	993.	992.	995.
Reference	Celik, Gokturk, et al., 2005	Elmore, Cooper, et al., 2005	Flamini, Luigi Cioni, et al., 2005	Pino, Mesa, et al., 2005	Solina, Baumgartner, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	HP-5MS	HP-5MS	HP-5	HP-5MS
Column length (m)	25.	30.	30.	30.	30.
Carrier gas	He	He	He	N2	He
Substrate
Column diameter (mm)	0.2	0.25	0.25	0.25	0.25
Phase thickness (μm)	1.	0.25	0.25	0.25	0.25
T_start (C)	40.	80.	80.	60.	60.
T_end (C)	280.	290.	290.	220.	280.
Heat rate (K/min)	5.	2.	4.	5.	4.
Initial hold (min)				10.	5.
Final hold (min)	5.
I	995.	998.3	998.5	993.	990.
Reference	Solina, Baumgartner, et al., 2005	Zhao, Liang, et al., 2005	Zhao, Liang, et al., 2005	Flamini, Luigi Cioni, et al., 2004	Grujic-Jovanovic, Skaltsa, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CP-Sil 8CB-MS	HP-5	SPB-5	HP-5	HP-5MS
Column length (m)	60.	30.	30.	30.	30.
Carrier gas		He	He		He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25		0.25	0.1	0.25
T_start (C)	40.	60.	60.	-30.	50.
T_end (C)	280.	260.	250.	250.	200.
Heat rate (K/min)	4.	3.	4.	10.	6.
Initial hold (min)	2.		2.	1.	1.5
Final hold (min)	5.		20.	5.	5.
I	994.	990.	991.	991.	993.
Reference	Hierro, de la Hoz, et al., 2004	Javidnia, Miri, et al., 2004	Pino, Marbot, et al., 2004	Siegmund and Murkovic, 2004	Weissbecker, Holighaus, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	HP-5	HP-5	DB-5	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	N2	N2	N2	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	60.	60.	60.
T_end (C)	220.	220.	220.	240.	240.
Heat rate (K/min)	5.	5.	5.	3.	3.
Initial hold (min)	10.	10.	10.
Final hold (min)
I	993.	991.	993.	993.	994.
Reference	Campeol, Flamini, et al., 2003	Dural, Bagci, et al., 2003	Ertugrul, Dural, et al., 2003	Flamini, Cioni, et al., 2003	Flamini, Luigi Cioni, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	HP-1	DB-5	BPX-5	CP Sil 8 CB
Column length (m)	30.	30.	30.	50.	60.
Carrier gas	N2	He	He		He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.32	0.25
Phase thickness (μm)	0.25	0.33	1.	0.5	0.25
T_start (C)	60.	40.	50.	60.	40.
T_end (C)	220.	260.	200.	250.	250.
Heat rate (K/min)	5.	2.	2.5	4.	4.
Initial hold (min)	10.	5.		5.	8.
Final hold (min)		20.		20.	10.
I	993.	982.	993.9	998.	993.
Reference	Flamini, Luigi Cioni, et al., 2003, 2	Senatore, Rigano, et al., 2003	Xu, van Stee, et al., 2003	Bredie, Mottram, et al., 2002	Duckham, Dodson, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CP Sil 8 CB	CP Sil 8 CB	HP-5	CP Sil 8 CB	SPB-5
Column length (m)	60.	60.	30.	60.	30.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	40.	40.	60.	40.	60.
T_end (C)	250.	280.	280.	250.	250.
Heat rate (K/min)	4.	4.	3.	4.	4.
Initial hold (min)	8.	2.		8.	2.
Final hold (min)	10.			10.	20.
I	994.	993.	987.	989.	991.
Reference	Duckham, Dodson, et al., 2002	Elmore, Campo, et al., 2002	Kovacevic, Pavlovic, et al., 2002	Oruna-Concha, Ames, et al., 2002	Pino, Marbot, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BPX-5	BPX-5	BPX-5	DB-1	SPB-Sulfur
Column length (m)	50.	50.	50.	60.	30.
Carrier gas	He	He	He	He
Substrate
Column diameter (mm)	0.32	0.32	0.32	0.32	0.32
Phase thickness (μm)	0.5	0.5	0.25	1.	4.
T_start (C)	60.	60.	60.	40.	40.
T_end (C)	250.	250.	250.	220.	200.
Heat rate (K/min)	4.	4.	4.	2.	4.
Initial hold (min)	5.	5.	5.	5.	12.5
Final hold (min)	10.	10.	10.
I	990.	990.	995.	980.	983.
Reference	Ames, Guy, et al., 2001	Ames, Guy, et al., 2001	Ames, Guy, et al., 2001, 2	Kim, 2001	de Lacy Costello, Evans, et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BPX-5	CP Sil 8 CB	DB-1	DB-1	BPX-5
Column length (m)	50.	60.	60.	60.	50.
Carrier gas	He	He	N2	He	He
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.32	0.32
Phase thickness (μm)	0.25	0.25	1.		0.25
T_start (C)	35.	40.	30.	60.	50.
T_end (C)	250.	280.	200.	230.	250.
Heat rate (K/min)	4.	4.	5.	3.	4.
Initial hold (min)	3.	2.			5.
Final hold (min)	10.		30.	5.	5.
I	991.	994.	984.	977.	993.
Reference	Oruna-Concha, Duckham, et al., 2001	Elmore, Mottram, et al., 2000	Wu, Wang, et al., 2000	Javidnia and Shafiee, 1999	Mandin, Duckham, et al., 1999
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BPX-5	DB-5	BPX-5	SPB-1	SE-54
Column length (m)	50.	30.	50.	60.	25.
Carrier gas	He	H2	He	N2	H2
Substrate
Column diameter (mm)	0.32	0.25	0.32	0.32	0.31
Phase thickness (μm)	0.25	0.25	0.50	0.25
T_start (C)	50.	50.	40.	40.	35.
T_end (C)	250.	290.	280.	200.	250.
Heat rate (K/min)	4.	4.	4.	4.	4.
Initial hold (min)	5.				3.
Final hold (min)	5.			20.
I	994.	972.	999.	973.	999.
Reference	Mandin, Duckham, et al., 1999	da Silva, Borba, et al., 1999	Aaslyng, Elmore, et al., 1998	Chen, Huang, et al., 1998	Li, Wang, et al., 1998
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	BP-1	DB-1	DB-1	DB-1
Column length (m)	30.	25.	60.	60.	60.
Carrier gas		He	He	He	He
Substrate
Column diameter (mm)	0.32	0.32	0.248	0.248	0.248
Phase thickness (μm)	1.		0.25	0.25	0.25
T_start (C)	60.	5.	50.	50.	50.
T_end (C)	250.	250.	250.	250.	250.
Heat rate (K/min)	4.	5.	5.	5.	5.
Initial hold (min)	5.	5.
Final hold (min)	20.	30.
I	994.	981.	980.	980.	980.
Reference	Madruga and Mottram, 1998	Sinyinda and Gramshaw, 1998	Lee, DeMilo, et al., 1997	Lee, DeMilo, et al., 1997	Lee, DeMilo, et al., 1997
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	HP-1	HP-1	OV-101	HP-1
Column length (m)	60.	50.	50.	50.	50.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.32	0.31	0.32
Phase thickness (μm)	1.0	1.05	1.05	0.5	1.05
T_start (C)	40.	40.	40.	50.	40.
T_end (C)	260.	260.	260.	250.	230.
Heat rate (K/min)	2.	2.	2.	4.	2.
Initial hold (min)	5.
Final hold (min)	60.				40.
I	986.	978.	982.	983.	981.
Reference	Yu, Lin, et al., 1994	Kuo and Ho, 1992	Kuo and Ho, 1992, 2	Misharina, Golovnya, et al., 1992	Tang, Zhang, et al., 1990
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	SPB-1	SPB-1	OV-1
Column length (m)	60.	60.	60.	50.
Carrier gas	He	He	He	H2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.2
Phase thickness (μm)	0.25	0.25	0.25
T_start (C)	40.	35.	35.	50.
T_end (C)	220.	235.	235.	200.
Heat rate (K/min)	2.	2.	2.	2.
Initial hold (min)		10.	10.
Final hold (min)	10.	40.	40.	55.
I	973.	979.	979.	984.
Reference	Zhang and Ho, 1989	Huang, Bruechert, et al., 1987	Huang, Bruechert, et al., 1987	Wu and Liou, 1986
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes

Engel and Ratel, 2007
Engel, E.; Ratel, J., Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication, J. Chromatogr. A, 2007, 1154, 1-2, 331-341, https://doi.org/10.1016/j.chroma.2007.02.012 . [all data]

Flamini, Cioni, et al., 2007
Flamini, G.; Cioni, P.L.; Morelli, I.; Bader, A., Essential oils of the aerial parts of three Salvia species from Jordan: Salvia lanigera, S. spinosa and S. syriaca, Food Chem., 2007, 100, 2, 732-735, https://doi.org/10.1016/j.foodchem.2005.10.032 . [all data]

Methven L., Tsoukka M., et al., 2007
Methven L.; Tsoukka M.; Oruna-Concha M.J.; Parker J.K.; Mottram D.S., Influence of sulfur amino acids on the volatile and nonvolatile components of cooked salmon (Salmo salar), J. Agric. Food Chem., 2007, 55, 4, 1427-1436, https://doi.org/10.1021/jf0625611 . [all data]

Pang T., Zhu S., et al., 2007
Pang T.; Zhu S.; Lu X.; Xu G., Identification of unknown compounds on the basis of retention index data in comprehensive two-dimensional gas chromatography, J. Sep. Sci., 2007, 30, 6, 868-874, https://doi.org/10.1002/jssc.200600471 . [all data]

Zeng, Zhao, et al., 2007
Zeng, Y.-X.; Zhao, C.-X.; Liang, Y.-Z.; Yang, H.; Fang, H.-Z.; Yi, L.-Z.; Zeng, Z.-D., Comparative analysis of volatile components from Clematis species growing in China, Anal. Chim. Acta., 2007, 595, 1-2, 328-339, https://doi.org/10.1016/j.aca.2006.12.022 . [all data]

Flamini, Tebano, et al., 2006
Flamini, G.; Tebano, M.; Cioni, P.L.; Bagci, Y.; Dural, H.; Ertugrul, K.; Uysal, T.; Savran, A., A multivariate statistical approach to Centaurea classification using essential oil composition data of some species from Turkey, Pl. Syst. Evol., 2006, 261, 1-4, 217-228, https://doi.org/10.1007/s00606-006-0448-3 . [all data]

Javidnia K., Miri R., et al., 2006
Javidnia K.; Miri R.; Javidnia A., Constituents of the essential oil of Scabiosa flavida from Iran, Chem. Nat. Compd. (Engl. Transl.), 2006, 42, 5, 529-530, https://doi.org/10.1007/s10600-006-0206-3 . [all data]

Kukic J., Petrovic S., et al., 2006
Kukic J.; Petrovic S.; Pavlovic M.; Couladis M.; Tzakou O.; Niketic M., Composition of essential oil of Stachys alpina L. ssp dinarica Murb., Flavour Fragr. J., 2006, 21, 3, 539-542, https://doi.org/10.1002/ffj.1684 . [all data]

Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L., Key Odor Impact Compounds in Three Yeast Extract Pastes, J. Agric. Food Chem., 2006, 54, 19, 7242-7250, https://doi.org/10.1021/jf061102x . [all data]

Pavlovic, Kovacevic, et al., 2006
Pavlovic, M.; Kovacevic, N.; Tzakou, O.; Couladis, M., Essential oil composition of Anthemis triumfetti (L.) DC., Flavour Fragr. J., 2006, 21, 2, 297-299, https://doi.org/10.1002/ffj.1592 . [all data]

Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D., Analysis of the essential oil composition of eight Anthemis species from Greece, J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087 . [all data]

Xian Q., Chen H., et al., 2006
Xian Q.; Chen H.; Zou H.; Yin D., Chemical composition of essential oils of two submerged macrophytes, Ceratophyllum demersum L. and Vallisneria spiralis L., Flavour Fragr. J., 2006, 21, 3, 524-526, https://doi.org/10.1002/ffj.1588 . [all data]

Ziegenbein, Hanssen, et al., 2006
Ziegenbein, F.C.; Hanssen, H.-P.; König, W.A., Secondary metabolites from Ganoderma lucidum and Spongiporus leucomallellus, Phytochemistry, 2006, 67, 2, 202-211, https://doi.org/10.1016/j.phytochem.2005.10.025 . [all data]

Ziegenbein, Hanssen, et al., 2006, 2
Ziegenbein, F.C.; Hanssen, H.-P.; König, W.A., Chemical constituents of the essential oils of three wood-rotting fungi, Flavour Fragr. J., 2006, 21, 5, 813-816, https://doi.org/10.1002/ffj.1732 . [all data]

Celik, Gokturk, et al., 2005
Celik, S.; Gokturk, R.S.; Flamini, G.; Cioni, P.L.; Morelli, I., Essential oils of Phlomis leucophracta, Phlomis chimerae and Phlomis grandiflora var. grandiflora from Turkey, Biochem. Syst. Ecol., 2005, 33, 6, 617-623, https://doi.org/10.1016/j.bse.2004.11.010 . [all data]

Elmore, Cooper, et al., 2005
Elmore, J.S.; Cooper, S.L.; Enser, M.; Mottram, D.S.; Sinclair, L.A.; Wilkinson, R.G.; Wood, J.D., Dietary manipulation of fatty acid composition in lamb meat and its effect on the volatile aroma compounds of grilled lamb, Meat Sci., 2005, 69, 2, 233-242, https://doi.org/10.1016/j.meatsci.2004.07.002 . [all data]

Flamini, Luigi Cioni, et al., 2005
Flamini, G.; Luigi Cioni, P.; Morelli, I.; Celik, S.; Gokturk, R.S.; Unal, O., Essential oil of Stachys aleurites from Turkey, Biochem. Syst. Ecol., 2005, 33, 1, 61-66, https://doi.org/10.1016/j.bse.2004.05.013 . [all data]

Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R., Volatile components from mango (Mangifera indica L.) cultivars, J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633 . [all data]

Solina, Baumgartner, et al., 2005
Solina, M.; Baumgartner, P.; Johnson, R.L.; Whitfield, F.B., Volatile aroma components of soy protein isolate and acid-hydrolysed vegetable protein, Food Chem., 2005, 90, 4, 861-873, https://doi.org/10.1016/j.foodchem.2004.06.005 . [all data]

Zhao, Liang, et al., 2005
Zhao, C.-X.; Liang, Y.-Z.; Fang, H.-Z.; Li, X.-N., Temperature-programmed retention indices for gas chromatography-mass spectroscopy analysis of plant essential oils, J. Chromatogr. A, 2005, 1096, 1-2, 76-85, https://doi.org/10.1016/j.chroma.2005.09.067 . [all data]

Flamini, Luigi Cioni, et al., 2004
Flamini, G.; Luigi Cioni, P.; Morelli, I., Essential oils of Galeopsis pubescens and G. tetrahit from Tuscany (Italy), Flavour Fragr. J., 2004, 19, 4, 327-329, https://doi.org/10.1002/ffj.1307 . [all data]

Grujic-Jovanovic, Skaltsa, et al., 2004
Grujic-Jovanovic, S.; Skaltsa, H.D.; Marin, P.; Sokovic, M., Composition and antibacterial activity of the essential oil of six Stachys species from Serbia, Flavour Fragr. J., 2004, 19, 2, 139-144, https://doi.org/10.1002/ffj.1275 . [all data]

Hierro, de la Hoz, et al., 2004
Hierro, E.; de la Hoz, L.; Ordóñez, J.A., Headspace volatile compounds from salted and occasionally smoked dried meats (cecinas) as affected by animal species, Food Chem., 2004, 85, 4, 649-657, https://doi.org/10.1016/j.foodchem.2003.07.001 . [all data]

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Notes

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References

Symbols used in this document:

T_end Final temperature

T_start Initial temperature
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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