Tetrahydrofuran

Formula: C₄H₈O
Molecular weight: 72.1057
IUPAC Standard InChI: InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2
IUPAC Standard InChIKey: WYURNTSHIVDZCO-UHFFFAOYSA-N
CAS Registry Number: 109-99-9
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: Furan, tetrahydro-; Butane α,δ-oxide; Butane, 1,4-epoxy-; Cyclotetramethylene oxide; Furanidine; Oxacyclopentane; Oxolane; Tetramethylene oxide; THF; Hydrofuran; Tetrahydrofuraan; Tetrahydrofuranne; Tetraidrofurano; NCI-C60560; Rcra waste number U213; UN 2056; Diethylene oxide; Dynasolve 150; Tetrahydrofurane; THF (tetrahydrofuran); NSC 57858
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Gas phase thermochemistry data

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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
Δ_fH°_gas	-184.2 ± 0.71	kJ/mol	Cm	Pell and Pilcher, 1965	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_gas	-2533.2 ± 0.67	kJ/mol	Cm	Pell and Pilcher, 1965	Corresponding Δ_fHº_gas = -184.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
S°_gas	301.7 ± 1.7	J/mol*K	N/A	Clegg G.A., 1968	Other third-law entropy values at 298.15 K evaluated from calorimetric data are 299.1 J/molK [ Chao J., 1986] and 288(1) J/molK [ Lebedev B.V., 1978].; GT

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
38.32	50.	Dorofeeva O.V., 1992	p=1 bar. Selected thermodynamic functions agree well with results of other statistical calculations [ Scott D.W., 1970, Chao J., 1986].; GT
40.34	100.
44.64	150.
52.15	200.
69.51	273.15
76.6 ± 1.0	298.15
77.18	300.
107.07	400.
134.43	500.
157.48	600.
176.67	700.
192.76	800.
206.36	900.
217.92	1000.
227.78	1100.
236.22	1200.
243.47	1300.
249.71	1400.
255.11	1500.

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
85.13 ± 0.17	328.15	Hossenlopp I.A., 1981	GT
91.36 ± 0.18	349.15
106.12 ± 0.21	399.15
120.39 ± 0.24	449.15
133.68 ± 0.27	500.15

Condensed phase thermochemistry data

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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
Δ_cH°_liquid	-2505.8 ± 2.1	kJ/mol	Ccb	Cass, Fletcher, et al., 1958	Reanalyzed by Cox and Pilcher, 1970, Original value = -2505. ± 2. kJ/mol; Corresponding Δ_fHº_liquid = -211.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-2501.2 ± 0.84	kJ/mol	Ccb	Skuratov, Strepikheev, et al., 1957	Reanalyzed by Cox and Pilcher, 1970, Original value = -2502. ± 0.4 kJ/mol; Combustion at 293 K; Corresponding Δ_fHº_liquid = -216.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	203.8	J/mol*K	N/A	Lebedev, Lityagov, et al., 1979	DH
S°_liquid	203.9	J/mol*K	N/A	Lebedev, Rabinovich, et al., 1978	DH
S°_liquid	203.9	J/mol*K	N/A	Lebedev and Lityagov, 1977	DH

Constant pressure heat capacity of liquid

C_p,liquid (J/mol*K)	Temperature (K)	Reference	Comment
124.1	298.15	Costas and Patterson, 1985	T = 283.15, 298.15, 313.15 K.; DH
124.1	298.15	Costas and Patterson, 1985, 2	DH
122.92	298.15	Inglese, Castagnolo, et al., 1981	DH
123.56	298.15	Kiyohara, D'Arcy, et al., 1979	DH
123.9	298.15	Lebedev, Rabinovich, et al., 1978	T = 8 to 322 K.; DH
123.9	298.15	Lebedev and Lityagov, 1977	T = 5 to 400 K.; DH
120.	298.15	Bonner and Cerutti, 1976	DH
120.5	298.	Conti, Gianni, et al., 1976	DH

Phase change data

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Data compiled as indicated in comments:
DH - Eugene S. Domalski and Elizabeth D. Hearing
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity	Value	Units	Method	Reference	Comment
T_boil	339. ± 1.	K	AVG	N/A	Average of 16 out of 17 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_fus	165.1	K	N/A	Hayduk, Laudie, et al., 1973	Uncertainty assigned by TRC = 0.5 K; TRC
T_fus	164.15	K	N/A	Brooks and Pilcher, 1959	Uncertainty assigned by TRC = 1. K; TRC
T_fus	164.63	K	N/A	Boord, Greenlee, et al., 1946	Uncertainty assigned by TRC = 0.2 K; TRC
T_fus	164.05	K	N/A	Dolliver, Gresham, et al., 1938	Uncertainty assigned by TRC = 0.4 K; TRC
Quantity	Value	Units	Method	Reference	Comment
T_triple	164.76	K	N/A	Wilhoit, Chao, et al., 1985	Uncertainty assigned by TRC = 0.05 K; TRC
T_triple	164.76	K	N/A	Lebedev, Lityagov, et al., 1979	Uncertainty assigned by TRC = 0.02 K; TRC
T_triple	164.76	K	N/A	Lebedev, Rabinovich, et al., 1978, 2	Uncertainty assigned by TRC = 0.02 K; TRC
Quantity	Value	Units	Method	Reference	Comment
T_c	540.2	K	N/A	Majer and Svoboda, 1985
T_c	540.1	K	N/A	Cheng, McCoubrey, et al., 1962	Uncertainty assigned by TRC = 0.3 K; Visual (5-cm 2-mm bore tubes) in nitrate-nitrite bath, TE or TH cal. vs NPL thermometer.; TRC
T_c	541.	K	N/A	Kobe, Ravicz, et al., 1956	Uncertainty assigned by TRC = 1.5 K; TRC
Quantity	Value	Units	Method	Reference	Comment
P_c	51.90	bar	N/A	Kobe, Ravicz, et al., 1956	Uncertainty assigned by TRC = 0.5066 bar; TRC
Quantity	Value	Units	Method	Reference	Comment
V_c	0.225	l/mol	N/A	Kobe, Ravicz, et al., 1956	Uncertainty assigned by TRC = 0.003 l/mol; TRC
Quantity	Value	Units	Method	Reference	Comment
Δ_vapH°	32.16	kJ/mol	N/A	Majer and Svoboda, 1985
Δ_vapH°	32.	kJ/mol	C	Hossenlopp and Scott, 1981	AC
Δ_vapH°	32.9	kJ/mol	N/A	Moiseev and Antonova, 1970	Based on data from 224. - 360. K.; AC
Δ_vapH°	32.	kJ/mol	V	Cass, Fletcher, et al., 1958	ALS

Enthalpy of vaporization

Δ_vapH (kJ/mol)	Temperature (K)	Method	Reference	Comment
29.81	339.1	N/A	Majer and Svoboda, 1985
32.3	305.	N/A	Loras, Aucejo, et al., 2001	Based on data from 290. - 339. K.; AC
33.1	288.	A	Stephenson and Malanowski, 1987	Based on data from 273. - 339. K.; AC
29.	414.	A	Stephenson and Malanowski, 1987	Based on data from 399. - 479. K.; AC
29.6	482.	A	Stephenson and Malanowski, 1987	Based on data from 467. - 541. K.; AC
32.5 ± 0.2	288.	N/A	Borisov and Chugunova, 1976	Based on data from 235. - 340. K.; AC
30.8	320.	N/A	Rivenq, 1975	Based on data from 302. - 339. K.; AC
32.8	288.	N/A	Koizumi and Ouchi, 1970	Based on data from 273. - 308. K. See also Boublik, Fried, et al., 1984.; AC
31.9	311.	N/A	Scott D.W., 1970	Based on data from 296. - 373. K. See also Boublik, Fried, et al., 1984.; AC
33.	293.	V	Skuratov, Strepikheev, et al., 1957	Combustion at 293 K; ALS
31.8	313.	N/A	Klages and Möhler, 1948	Based on data from 293. - 313. K. See also Cass, Fletcher, et al., 1958, 2.; AC

Enthalpy of vaporization

Δ_vapH = A exp(-βT_r) (1 − T_r)^β
Δ_vapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
T_r = reduced temperature (T / T_c)

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Temperature (K)	A (kJ/mol)	β	T_c (K)	Reference	Comment
302. - 339.	46.11	0.2699	540.2	Majer and Svoboda, 1985

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)

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Temperature (K)	A	B	C	Reference	Comment
296.29 - 372.8	4.12118	1202.942	-46.818	Scott D.W., 1970	Coefficents calculated by NIST from author's data.

Enthalpy of fusion

Δ_fusH (kJ/mol)	Temperature (K)	Reference	Comment
8.540	164.76	Lebedev, Rabinovich, et al., 1978	DH
8.540	164.76	Lebedev and Lityagov, 1977	DH
8.54	164.8	Acree, 1991	AC

Entropy of fusion

Δ_fusS (J/mol*K)	Temperature (K)	Reference	Comment
51.8	164.76	Lebedev, Rabinovich, et al., 1978	DH
51.83	164.76	Lebedev and Lityagov, 1977	DH

Enthalpy of phase transition

ΔH_trs (kJ/mol)	Temperature (K)	Initial Phase	Final Phase	Reference	Comment
8.540	164.76	crystaline, I	liquid	Lebedev, Lityagov, et al., 1979	DH

Entropy of phase transition

ΔS_trs (J/mol*K)	Temperature (K)	Initial Phase	Final Phase	Reference	Comment
51.83	164.76	crystaline, I	liquid	Lebedev, Lityagov, et al., 1979	DH

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:

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, References, Notes

Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
MS - José A. Martinho Simões

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C₄H₉O⁺ + Tetrahydrofuran = (C₄H₉O⁺ • )

By formula: C₄H₉O⁺ + C₄H₈O = (C₄H₉O⁺ • C₄H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	125.	kJ/mol	PHPMS	Hiraoka and Takimoto, 1986	gas phase; M
Δ_rH°	136.	kJ/mol	ICR	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	122.	J/mol*K	PHPMS	Hiraoka and Takimoto, 1986	gas phase; M
Δ_rS°	135.	J/mol*K	N/A	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	95.8	kJ/mol	ICR	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C₄H₁₁O⁺ + Tetrahydrofuran = (C₄H₁₁O⁺ • )

By formula: C₄H₁₁O⁺ + C₄H₈O = (C₄H₁₁O⁺ • C₄H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	127.	kJ/mol	ICR	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	123.	J/mol*K	N/A	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	90.4	kJ/mol	ICR	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C₅H₁₁O⁺ + Tetrahydrofuran = (C₅H₁₁O⁺ • )

By formula: C₅H₁₁O⁺ + C₄H₈O = (C₅H₁₁O⁺ • C₄H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	126.	kJ/mol	ICR	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, 86 KEE/CAS; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	123.	J/mol*K	N/A	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, 86 KEE/CAS; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	89.1	kJ/mol	ICR	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, 86 KEE/CAS; M

(C₄H₉O⁺ • Tetrahydrofuran ) + = (C₄H₉O⁺ • 2)

By formula: (C₄H₉O⁺ • C₄H₈O) + C₄H₈O = (C₄H₉O⁺ • 2C₄H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	32.	kJ/mol	PHPMS	Hiraoka, Takimoto, et al., 1987	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	75.	J/mol*K	N/A	Hiraoka, Takimoto, et al., 1987	gas phase; Entropy change calculated or estimated; M

C₆H₅NO₂^- + Tetrahydrofuran = (C₆H₅NO₂^- • )

By formula: C₆H₅NO₂^- + C₄H₈O = (C₆H₅NO₂^- • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	13. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
13.	308.	PHPMS	Chowdhury, 1987	gas phase; M

C₇H₄N₂O₂^- + Tetrahydrofuran = (C₇H₄N₂O₂^- • )

By formula: C₇H₄N₂O₂^- + C₄H₈O = (C₇H₄N₂O₂^- • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.9 ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
5.9	308.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₄FNO₂^- + Tetrahydrofuran = (C₆H₄FNO₂^- • )

By formula: C₆H₄FNO₂^- + C₄H₈O = (C₆H₄FNO₂^- • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	13. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
13.	308.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₄FNO₂^- + Tetrahydrofuran = (C₆H₄FNO₂^- • )

By formula: C₆H₄FNO₂^- + C₄H₈O = (C₆H₄FNO₂^- • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	12. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
12.	308.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₄FNO₂^- + Tetrahydrofuran = (C₆H₄FNO₂^- • )

By formula: C₆H₄FNO₂^- + C₄H₈O = (C₆H₄FNO₂^- • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	12. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
12.	308.	PHPMS	Chowdhury, 1987	gas phase; M

C₇H₇NO₂^- + Tetrahydrofuran = (C₇H₇NO₂^- • )

By formula: C₇H₇NO₂^- + C₄H₈O = (C₇H₇NO₂^- • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	13. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
13.	308.	PHPMS	Chowdhury, 1987	gas phase; M

C₇H₇NO₂^- + Tetrahydrofuran = (C₇H₇NO₂^- • )

By formula: C₇H₇NO₂^- + C₄H₈O = (C₇H₇NO₂^- • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	13. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
13.	308.	PHPMS	Chowdhury, 1987	gas phase; M

C₇H₇NO₂^- + Tetrahydrofuran = (C₇H₇NO₂^- • )

By formula: C₇H₇NO₂^- + C₄H₈O = (C₇H₇NO₂^- • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	13. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
13.	308.	PHPMS	Chowdhury, 1987	gas phase; M

C₇H₄N₂O₂^- + Tetrahydrofuran = (C₇H₄N₂O₂^- • )

By formula: C₇H₄N₂O₂^- + C₄H₈O = (C₇H₄N₂O₂^- • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	15. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
15.	308.	PHPMS	Chowdhury, 1987	gas phase; M

C₇H₄N₂O₂^- + Tetrahydrofuran = (C₇H₄N₂O₂^- • )

By formula: C₇H₄N₂O₂^- + C₄H₈O = (C₇H₄N₂O₂^- • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.8 ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
8.8	308.	PHPMS	Chowdhury, 1987	gas phase; M

+ 2 = Tetrahydrofuran

By formula: C₄H₄O + 2H₂ = C₄H₈O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-151.1 ± 0.50	kJ/mol	Chyd	Dolliver, Gresham, et al., 1938, 2	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -153.3 ± 0.50 kJ/mol; At 355 °K; ALS

+ Tetrahydrofuran = ( • )

By formula: Mg⁺ + C₄H₈O = (Mg⁺ • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	280. ± 20.	kJ/mol	ICR	Operti, Tews, et al., 1988	gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

Tetrahydrofuran (solution) + (solution) = C₉H₈O₆W (solution) + (solution)

By formula: C₄H₈O (solution) + C₆O₆W (solution) = C₉H₈O₆W (solution) + CO (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	60.7 ± 4.2	kJ/mol	PC	Nakashima and Adamson, 1982	solvent: Tetrahydrofuran; MS

C₁₄H₂₁MnO₂ (solution) + Tetrahydrofuran (solution) = C₁₁H₁₃MnO₃ (solution) + (solution)

By formula: C₁₄H₂₁MnO₂ (solution) + C₄H₈O (solution) = C₁₁H₁₃MnO₃ (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-67.4 ± 5.9	kJ/mol	PAC	Klassen, Selke, et al., 1990	solvent: Heptane; MS

C₁₂H₁₆CrO₅ (solution) + Tetrahydrofuran (solution) = C₉H₈CrO₆ (solution) + (solution)

By formula: C₁₂H₁₆CrO₅ (solution) + C₄H₈O (solution) = C₉H₈CrO₆ (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-51.9 ± 5.0	kJ/mol	PAC	Yang, Peters, et al., 1986	solvent: Heptane; MS

+ = Tetrahydrofuran

By formula: C₄H₆O + H₂ = C₄H₈O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-107.0 ± 1.3	kJ/mol	Chyd	Allinger, Glaser, et al., 1981	liquid phase; solvent: Hexane; ALS

+ = Tetrahydrofuran

By formula: H₂ + C₄H₆O = C₄H₈O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-117.1 ± 1.3	kJ/mol	Chyd	Allinger, Glaser, et al., 1981	liquid phase; solvent: Hexane; ALS

Tetrahydrofuran (solution) + C₂₀H₃₀Sm (solution) = C₂₄H₃₈OSm (solution)

By formula: C₄H₈O (solution) + C₂₀H₃₀Sm (solution) = C₂₄H₃₈OSm (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-30.5 ± 1.7	kJ/mol	RSC	Nolan, Stern, et al., 1989	solvent: Toluene; MS

C₂₄H₃₈OSm (solution) + Tetrahydrofuran (solution) = C₂₈H₄₆O₂Sm (solution)

By formula: C₂₄H₃₈OSm (solution) + C₄H₈O (solution) = C₂₈H₄₆O₂Sm (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-20.5 ± 4.2	kJ/mol	RSC	Nolan, Stern, et al., 1989	solvent: Toluene; MS

C₂₄H₃₉Si₃U (solution) + Tetrahydrofuran (solution) = C₂₈H₄₇OSi₃U (solution)

By formula: C₂₄H₃₉Si₃U (solution) + C₄H₈O (solution) = C₂₈H₄₇OSi₃U (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-41.0 ± 0.8	kJ/mol	RSC	Schock, Seyam, et al., 1988	solvent: Toluene; MS

Henry's Law data

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Data compiled by: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

k°_H (mol/(kg*bar))	d(ln(k_H))/d(1/T) (K)	Method	Reference
14.	5700.	M	N/A
22.		M	N/A

Gas phase ion energetics data

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Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C₄H₈O⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	9.40 ± 0.02	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	822.1	kJ/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	794.7	kJ/mol	N/A	Hunter and Lias, 1998	HL

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.38 ± 0.05	EI	Holmes and Lossing, 1991	LL
9.38	PE	Behan, Dean, et al., 1976	LLK
9.41	S	Doucet, Sauvageau, et al., 1972	LLK
9.42 ± 0.01	S	Hernandez, 1963	RDSH
9.54	PI	Watanabe, Nakayama, et al., 1962	RDSH
9.74	PE	Kimura, Katsumata, et al., 1981	Vertical value; LLK
9.71	PE	Gerson, Worley, et al., 1978	Vertical value; LLK
9.65	PE	Schmidt and Schweig, 1974	Vertical value; LLK
9.53	PE	Pignataro and Distefano, 1974	Vertical value; LLK
9.57 ± 0.02	PE	Bain, Bunzli, et al., 1973	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C₂H₂⁺	17.3 ± 0.3	?	EI	Gallegos and Kiser, 1962	RDSH
C₂H₃⁺	16.1 ± 0.3	?	EI	Gallegos and Kiser, 1962	RDSH
C₂H₃O⁺	12.8 ± 0.2	?	EI	Gallegos and Kiser, 1962	RDSH
C₂H₄O⁺	12.27	C₂H₄	EI	Collin and Conde-Caprace, 1966	RDSH
C₂H₅⁺	15.8 ± 0.2	?	EI	Gallegos and Kiser, 1962	RDSH
C₃H₃⁺	18.7 ± 0.6	?	EI	Gallegos and Kiser, 1962	RDSH
C₃H₄⁺	15.2 ± 0.3	?	EI	Gallegos and Kiser, 1962	RDSH
C₃H₅⁺	13.72	?	EI	Collin and Conde-Caprace, 1966	RDSH
C₃H₆⁺	11.54	?	EI	Collin and Conde-Caprace, 1966	RDSH
C₄H₇O⁺	10.44	H	EI	Collin and Conde-Caprace, 1966	RDSH

Ion clustering data

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Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

C₄H₉O⁺ + Tetrahydrofuran = (C₄H₉O⁺ • )

By formula: C₄H₉O⁺ + C₄H₈O = (C₄H₉O⁺ • C₄H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	125.	kJ/mol	PHPMS	Hiraoka and Takimoto, 1986	gas phase; M
Δ_rH°	136.	kJ/mol	ICR	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	122.	J/mol*K	PHPMS	Hiraoka and Takimoto, 1986	gas phase; M
Δ_rS°	135.	J/mol*K	N/A	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	95.8	kJ/mol	ICR	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

(C₄H₉O⁺ • Tetrahydrofuran ) + = (C₄H₉O⁺ • 2)

By formula: (C₄H₉O⁺ • C₄H₈O) + C₄H₈O = (C₄H₉O⁺ • 2C₄H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	32.	kJ/mol	PHPMS	Hiraoka, Takimoto, et al., 1987	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	75.	J/mol*K	N/A	Hiraoka, Takimoto, et al., 1987	gas phase; Entropy change calculated or estimated; M

C₄H₁₁O⁺ + Tetrahydrofuran = (C₄H₁₁O⁺ • )

By formula: C₄H₁₁O⁺ + C₄H₈O = (C₄H₁₁O⁺ • C₄H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	127.	kJ/mol	ICR	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	123.	J/mol*K	N/A	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	90.4	kJ/mol	ICR	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C₅H₁₁O⁺ + Tetrahydrofuran = (C₅H₁₁O⁺ • )

By formula: C₅H₁₁O⁺ + C₄H₈O = (C₅H₁₁O⁺ • C₄H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	126.	kJ/mol	ICR	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, 86 KEE/CAS; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	123.	J/mol*K	N/A	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, 86 KEE/CAS; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	89.1	kJ/mol	ICR	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, 86 KEE/CAS; M

C₆H₄FNO₂^- + Tetrahydrofuran = (C₆H₄FNO₂^- • )

By formula: C₆H₄FNO₂^- + C₄H₈O = (C₆H₄FNO₂^- • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	13. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
13.	308.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₄FNO₂^- + Tetrahydrofuran = (C₆H₄FNO₂^- • )

By formula: C₆H₄FNO₂^- + C₄H₈O = (C₆H₄FNO₂^- • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	12. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
12.	308.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₄FNO₂^- + Tetrahydrofuran = (C₆H₄FNO₂^- • )

By formula: C₆H₄FNO₂^- + C₄H₈O = (C₆H₄FNO₂^- • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	12. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
12.	308.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₅NO₂^- + Tetrahydrofuran = (C₆H₅NO₂^- • )

By formula: C₆H₅NO₂^- + C₄H₈O = (C₆H₅NO₂^- • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	13. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
13.	308.	PHPMS	Chowdhury, 1987	gas phase; M

C₇H₄N₂O₂^- + Tetrahydrofuran = (C₇H₄N₂O₂^- • )

By formula: C₇H₄N₂O₂^- + C₄H₈O = (C₇H₄N₂O₂^- • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.8 ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
8.8	308.	PHPMS	Chowdhury, 1987	gas phase; M

C₇H₄N₂O₂^- + Tetrahydrofuran = (C₇H₄N₂O₂^- • )

By formula: C₇H₄N₂O₂^- + C₄H₈O = (C₇H₄N₂O₂^- • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	15. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
15.	308.	PHPMS	Chowdhury, 1987	gas phase; M

C₇H₄N₂O₂^- + Tetrahydrofuran = (C₇H₄N₂O₂^- • )

By formula: C₇H₄N₂O₂^- + C₄H₈O = (C₇H₄N₂O₂^- • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.9 ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
5.9	308.	PHPMS	Chowdhury, 1987	gas phase; M

C₇H₇NO₂^- + Tetrahydrofuran = (C₇H₇NO₂^- • )

By formula: C₇H₇NO₂^- + C₄H₈O = (C₇H₇NO₂^- • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	13. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
13.	308.	PHPMS	Chowdhury, 1987	gas phase; M

C₇H₇NO₂^- + Tetrahydrofuran = (C₇H₇NO₂^- • )

By formula: C₇H₇NO₂^- + C₄H₈O = (C₇H₇NO₂^- • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	13. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
13.	308.	PHPMS	Chowdhury, 1987	gas phase; M

C₇H₇NO₂^- + Tetrahydrofuran = (C₇H₇NO₂^- • )

By formula: C₇H₇NO₂^- + C₄H₈O = (C₇H₇NO₂^- • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	13. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
13.	308.	PHPMS	Chowdhury, 1987	gas phase; M

+ Tetrahydrofuran = ( • )

By formula: Mg⁺ + C₄H₈O = (Mg⁺ • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	280. ± 20.	kJ/mol	ICR	Operti, Tews, et al., 1988	gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

GAS (100 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm^-1 resolution

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

Mass spectrum (electron ionization)

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

Spectrum

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Additional Data

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Due to licensing restrictions, this spectrum cannot be downloaded.

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- 76
NIST MS number	227725

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.

UV/Visible spectrum

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Data compiled by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

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Download spectrum in JCAMP-DX format.

Source	Pickett, Hoeflich, et al., 1951
Owner	INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Origin	INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference	RAS UV No. 21
Instrument	Hilger fluorite prism spectrograph
Melting point	-108.3
Boiling point	65

Gas Chromatography

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

Kovats' RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Packed	C78, Branched paraffin	130.	609.9	Dallos, Sisak, et al., 2000	He; Column length: 3.3 m
Packed	C78, Branched paraffin	130.	609.8	Reddy, Dutoit, et al., 1992	Chromosorb G HP; Column length: 3.3 m
Packed	Apolane	130.	611.	Dutoit, 1991	Column length: 3.7 m
Packed	SE-30	150.	630.	Tiess, 1984	Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
Packed	SE-30	100.	626.	Winskowski, 1983	Gaschrom Q; Column length: 2. m
Packed	Apiezon L	120.	620.	Bogoslovsky, Anvaer, et al., 1978	Celite 545
Packed	Apiezon L	160.	631.	Bogoslovsky, Anvaer, et al., 1978	Celite 545
Packed	Apiezon L	70.	618.	Bogoslovsky, Anvaer, et al., 1978
Packed	Apolane	130.	612.9	Riedo, Fritz, et al., 1976	He, Chromosorb; Column length: 2.4 m
Packed	Apolane	190.	623.2	Riedo, Fritz, et al., 1976	He, Chromosorb; Column length: 2.4 m
Packed	Silicon High Vacuum Grease (obsolete)	170.	640.	Jonas, Janák, et al., 1966	H2
Packed	Silicon High Vacuum Grease (obsolete)	170.	640.	Janák, Jonas, et al., 1965	H2, Celite
Packed	Apiezon L	130.	631.	Wehrli and Kováts, 1959	Celite; Column length: 2.25 m
Packed	Apiezon L	70.	618.	Wehrli and Kováts, 1959	Celite; Column length: 2.25 m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CBP-1	617.	Shimadzu, 2003	25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; T_end: 200. C
Capillary	SE-54	621.	Rembold, Wallner, et al., 1989	30. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; T_end: 250. C
Capillary	OV-101	609.	Yamaguchi and Shibamoto, 1979	N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; T_start: 80. C; T_end: 200. C
Capillary	OV-101	610.	Yamaguchi and Shibamoto, 1979	N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; T_start: 80. C; T_end: 200. C

Kovats' RI, polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Carbowax 20M	70.	868.	Annino and Villalobos, 1999	31.3 m/0.53 mm/0.54 μm
Packed	Carbowax 20M	75.	895.	Goebel, 1982	N2, Kieselgur (60-100 mesh); Column length: 2. m
Packed	PEG-2000	150.	888.	Anderson, Jurel, et al., 1973	He, Celite 545 (44-60 mesh); Column length: 3. m
Packed	PEG-2000	152.	907.	Anderson, Jurel, et al., 1973	He, Celite 545 (44-60 mesh); Column length: 3. m
Packed	PEG-2000	179.	915.	Anderson, Jurel, et al., 1973	He, Celite 545 (44-60 mesh); Column length: 3. m
Packed	PEG-2000	180.	900.	Anderson, Jurel, et al., 1973	He, Celite 545 (44-60 mesh); Column length: 3. m
Packed	PEG-2000	200.	903.	Anderson, Jurel, et al., 1973	He, Celite 545 (44-60 mesh); Column length: 3. m

Kovats' RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CBP-20	868.	Shimadzu, 2003	25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; T_end: 200. C
Capillary	DB-Wax	861.	Umano, Hagi, et al., 1994	He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 200. C
Capillary	Carbowax 20M	866.	Yamaguchi and Shibamoto, 1979	N2, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; T_start: 80. C; T_end: 200. C
Capillary	Carbowax 20M	867.	Yamaguchi and Shibamoto, 1979	N2, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; T_start: 80. C; T_end: 200. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	CP Sil 8 CB	632.	Elmore, Campo, et al., 2002	60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; T_end: 280. C
Capillary	CP Sil 8 CB	629.	Elmore, Mottram, et al., 2000	60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; T_end: 280. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	623.	Engel, Baty, et al., 2002	30. m/0.25 mm/0.25 μm, He; Program: 5C(5min) => 3C/min => 20C => 5C/min => 100C 15C/min => 150C (5min)

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CP-Wax 52CB	854.	Alasalvar, Taylor, et al., 2005	60. m/0.25 mm/0.25 μm, 35. C @ 4. min, 3. K/min; T_end: 203. C
Capillary	Supelcowax-10	857.	Elmore, Nisyrios, et al., 2005	60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; T_end: 280. C

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Methyl Silicone	100.	622.	Lebrón-Aguilar, Quintanilla-López, et al., 2007
Capillary	Methyl Silicone	120.	626.	Lebrón-Aguilar, Quintanilla-López, et al., 2007
Capillary	Methyl Silicone	140.	629.	Lebrón-Aguilar, Quintanilla-López, et al., 2007
Capillary	Methyl Silicone	80.	620.	Lebrón-Aguilar, Quintanilla-López, et al., 2007
Capillary	DB-1	60.	620.	Shimadzu, 2003, 2	60. m/0.32 mm/1. μm, He
Packed	Apieson L	120.	624.	Kurdina, Markovich, et al., 1969	not specified, not specified
Packed	DC-400	150.	630.	Anderson, 1968	Helium, Gas-Pak (60-80 mesh); Column length: 3.0 m

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	VF-5 MS	614.	Leffingwell and Alford, 2011	60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; T_start: 30. C
Capillary	VF-5 MS	618.	Leffingwell and Alford, 2011	60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; T_start: 30. C
Capillary	MDN-5	620.	van Loon, Linssen, et al., 2005	60. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min
Capillary	HP-5	633.	Jung, Wichmann, et al., 1999	25. m/0.20 mm/0.33 μm, 50. C @ 3. min, 5. K/min; T_end: 180. C
Capillary	DB-1	615.	Habu, Flath, et al., 1985	3. K/min; Column length: 50. m; Column diameter: 0.32 mm; T_start: 0. C; T_end: 250. C
Capillary	SF-96	618.	Donetzhuber, Johansson, et al., 1976	Nitrogen, 3. K/min, 130. C @ 40. min; Column length: 111. m; Column diameter: 0.76 mm; Initial hold: 8. min

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Methyl Silicone	619.	Farkas, Héberger, et al., 2004	Program: not specified
Capillary	SE-30	636.	Vinogradov, 2004	Program: not specified
Capillary	SPB-1	615.	Flanagan, Streete, et al., 1997	60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
Capillary	DB-5	624.	Mateo and Zumalacárregui, 1996	50. m/0.32 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)
Capillary	SPB-1	615.	Strete, Ruprah, et al., 1992	60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
Capillary	SPB-1	638.	Strete, Ruprah, et al., 1992	60. m/0.53 mm/5.0 μm, Helium; Program: not specified
Capillary	DB-1	608.	Kawai, Ishida, et al., 1991	60. m/0.25 mm/0.25 μm; Program: not specified
Capillary	DB-1	612.	Kawai, Ishida, et al., 1991	60. m/0.25 mm/0.25 μm; Program: not specified
Capillary	CP Sil 8 CB	629.	Weller and Wolf, 1989	40. m/0.25 mm/0.25 μm, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C
Capillary	SE-30	627.	P'yanova, Zvereva, et al., 1987	Column length: 25. m; Column diameter: 0.25 mm; Program: not specified
Capillary	OV-1	638.	Ramsey and Flanagan, 1982	Program: not specified

Normal alkane RI, polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	DB-Wax	60.	887.	Shimadzu, 2003, 2	50. m/0.32 mm/1. μm, He

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	829.	Welke, Manfroi, et al., 2012	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	SOLGel-Wax	854.	Johanningsmeier and McFeeters, 2011	30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min)
Capillary	Carbowax 20M	898.	Vinogradov, 2004	Program: not specified
Capillary	Carbowax 20M	872.	Ramsey and Flanagan, 1982	Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, Notes

Pell and Pilcher, 1965
Pell, A.S.; Pilcher, G., Measurements of heats of combustion by flame calorimetry. Part 3.-Ethylene oxide, trimethylene oxide, tetrahydrofuran and tetrahydropy, Trans. Faraday Soc., 1965, 61, 71-77. [all data]

Clegg G.A., 1968
Clegg G.A., Thermodynamics of polymerization of heterocyclic compounds. II. The heat capacity, entropy, enthalpy and free energy of polytetrahydrofuran, Polymer, 1968, 9, 501-511. [all data]

Chao J., 1986
Chao J., Thermodynamic properties of key organic oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties, J. Phys. Chem. Ref. Data, 1986, 15, 1369-1436. [all data]

Lebedev B.V., 1978
Lebedev B.V., Thermodynamic properties of tetrahydrofuran from 8 to 322 K, J. Chem. Thermodyn., 1978, 10, 321-329. [all data]

Dorofeeva O.V., 1992
Dorofeeva O.V., Ideal gas thermodynamic properties of oxygen heterocyclic compounds. Part 1. Three-membered, four-membered and five-membered rings, Thermochim. Acta, 1992, 194, 9-46. [all data]

Scott D.W., 1970
Scott D.W., Tetrahydrofuran: vibrational assignment, chemical thermodynamic properties, and vapor pressure, J. Chem. Thermodyn., 1970, 2, 833-837. [all data]

Hossenlopp I.A., 1981
Hossenlopp I.A., Vapor heat capacities and enthalpies of vaporization of six organic compounds, J. Chem. Thermodyn., 1981, 13, 405-414. [all data]

Cass, Fletcher, et al., 1958
Cass, R.C.; Fletcher, S.E.; Mortimer, C.T.; Springall, H.D.; White, T.R., Heats of combustion and molecular structure. Part V. The mean bond energy term for the C-O bond in ethers, and the structures of some cyclic ethers, J. Chem. Soc., 1958, 1406-1410. [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]

Skuratov, Strepikheev, et al., 1957
Skuratov, S.M.; Strepikheev, A.A.; Kozina, M.P., About the reaction activity of five and six-membered heterocyclic compounds, Dokl. Akad. Nauk SSSR, 1957, 117, 452-454. [all data]

Lebedev, Lityagov, et al., 1979
Lebedev, B.V.; Lityagov, V.Ya.; Krentsina, T.I.; Milov, V.I., Thermodynamic properties of tetrahydrofuran in the range 8-322 K, Zhur. Fiz. Khim., 1979, 53, 264-265. [all data]

Lebedev, Rabinovich, et al., 1978
Lebedev, B.V.; Rabinovich, I.B.; Milov, V.I.; Lityagov, V.Ya., Thermodynamic properties of tetrahydrofuran from 8 to 322 K, J. Chem. Thermodyn., 1978, 10, 321-329. [all data]

Lebedev and Lityagov, 1977
Lebedev, B.V.; Lityagov, V.Ya., Calorimetric study of tetrahydrofuran and its polymerization in the temperature range 0-400°K, Vysokomol. Soedin., 1977, A19, 2283-2290. [all data]

Costas and Patterson, 1985
Costas, M.; Patterson, D., Heat capacities of water + organic-solvent mixtures, J. Chem. Soc., Faraday Trans. 1, 1985, 81, 2381-2398. [all data]

Costas and Patterson, 1985, 2
Costas, M.; Patterson, D., Self-association of alcohols in inert solvents, J. Chem. Soc., Faraday Trans. 1, 1985, 81, 635-654. [all data]

Inglese, Castagnolo, et al., 1981
Inglese, A.; Castagnolo, M.; Dell'Atti, A.; DeGiglio, A., Thermochim. Acta, 1981, 77-87. [all data]

Kiyohara, D'Arcy, et al., 1979
Kiyohara, O.; D'Arcy, P.J.; Benson, G.C., Ultrasonic velocities, compressibilities, and heat capacities of water + tetrahydrofuran mixtures at 298.15K, Can. J. Chem., 1979, 57, 1006-1010. [all data]

Bonner and Cerutti, 1976
Bonner, O.D.; Cerutti, P.J., The partial molar heat capacities of some solutes in water and deuterium oxide, J. Chem. Thermodynam., 1976, 8, 105-111. [all data]

Conti, Gianni, et al., 1976
Conti, G.; Gianni, P.; Matteoli, E.; Mengheri, M., Capacita termiche molari di alcuni composti organici mono- e bifunzionali nel liquido puro e in soluzione acquosa a 25C, Chim. Ind. (Milan), 1976, 58, 225. [all data]

Hayduk, Laudie, et al., 1973
Hayduk, W.; Laudie, H.; Smith, O.H., Viscosity, Freezing Point, Vapor-Liquid Equilibria, and Other Properties of Aqueous-Tetrahydrofuran Solutions, J. Chem. Eng. Data, 1973, 18, 373-6. [all data]

Brooks and Pilcher, 1959
Brooks, J.H.; Pilcher, G., A Simple Melting Point Calorimeter for Moderately Precise Determination of Purity, J. Chem. Soc., 1959, 1959, 1535. [all data]

Boord, Greenlee, et al., 1946
Boord, C.E.; Greenlee, K.W.; Perilstein, W.L., The Synthesis, Purification and Prop. of Hydrocarbons of Low Mol. Weight, Am. Pet. Inst. Res. Proj. 45, Eighth Annu. Rep., Ohio State Univ., June 30, 1946. [all data]

Dolliver, Gresham, et al., 1938
Dolliver, M.A.; Gresham, T.L.; Kistiakowsky, G.B.; Smith, E.A.; Vaughan, W.E., Heats of Organic Reactions VI. Heats of Hydrogenation of Some Oxygen- Containing Compounds, J. Am. Chem. Soc., 1938, 60, 440. [all data]

Wilhoit, Chao, et al., 1985
Wilhoit, R.C.; Chao, J.; Hall, K.R., Thermodynamic Properties of Key Organic Compounds in the Carbon Range C1 to C4. Part 1. Properties of Condensed Phases, J. Phys. Chem. Ref. Data, 1985, 14, 1. [all data]

Lebedev, Rabinovich, et al., 1978, 2
Lebedev, B.V.; Rabinovich, I.B.; Milov, V.I.; Sladkov, A.M., Thermodynamic properties of tetrahydrofuran from 8 to 322 k polyaddition products with the bis-ethinyl derivatives of the same metals, J. Chem. Thermodyn., 1978, 10, 321-9. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Cheng, McCoubrey, et al., 1962
Cheng, D.C.H.; McCoubrey, J.C.; Phillips, D.G., Critical Temperatures of Some Organic Cyclic Compounds, Trans. Faraday Soc., 1962, 58, 224. [all data]

Kobe, Ravicz, et al., 1956
Kobe, K.A.; Ravicz, A.E.; Vohra, S.P., Critical Properties and Vapor Pressures of Some Ethers and Heterocyclic Compounds, J. Chem. Eng. Data, 1956, 1, 50. [all data]

Hossenlopp and Scott, 1981
Hossenlopp, I.A.; Scott, D.W., Vapor heat capacities and enthalpies of vaporizaiton of six organic compounds, J. Chem. Thermodyn., 1981, 13, 405-414. [all data]

Moiseev and Antonova, 1970
Moiseev, V.D.; Antonova, N.D., Zh. Fiz. Khim., 1970, 44, 11, 2912. [all data]

Loras, Aucejo, et al., 2001
Loras, Sonia; Aucejo, Antonio; Montón, Juan B.; Wisniak, Jaime; Segura, Hugo, Polyazeotropic Behavior in the Binary System 1,1,1,2,3,4,4,5,5,5-Decafluoropentane + Oxolane, J. Chem. Eng. Data, 2001, 46, 6, 1351-1356, https://doi.org/10.1021/je0100793 . [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]

Borisov and Chugunova, 1976
Borisov, G.K.; Chugunova, S.G., Russ. J. Phys. Chem., 1976, 50, 1791. [all data]

Rivenq, 1975
Rivenq, F., Bull. Soc. Chim. Fr., 1975, 1, 2433. [all data]

Koizumi and Ouchi, 1970
Koizumi, E.; Ouchi, S., Nippon Kagaku Kaishi, 1970, 91, 5, 501. [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Klages and Möhler, 1948
Klages, Friedrich; Möhler, Klement, Über das anomale osmotische Verhalten von Kettenmolekülen, VI. Mitteil.: Bestimmung der Dampfdruckerniedrigung von Polydepsiden, Chem. Ber., 1948, 81, 5, 411-417, https://doi.org/10.1002/cber.19480810512 . [all data]

Cass, Fletcher, et al., 1958, 2
Cass, R.C.; Fletcher, S.E.; Mortimer, C.T.; Springall, H.D.; White, T.R., 281. Heats of combustion and molecular structure. Part V. The mean bond energy term for the C?O bond in ethers, and the structures of some cyclic ethers, J. Chem. Soc., 1958, 1406, https://doi.org/10.1039/jr9580001406 . [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]

Hiraoka and Takimoto, 1986
Hiraoka, K.; Takimoto, H., Gas-Phase Stabilities of Symmetric Proton-Held Dimer Cations, J. Phys. Chem., 1986, 90, 22, 5910, https://doi.org/10.1021/j100280a090 . [all data]

Larson and McMahon, 1982
Larson, J.W.; McMahon, T.B., Formation, Thermochemistry, and Relative Stabilities of Proton - Bound dimers of Oxygen n - Donor Bases from Ion Cyclotron Resonance Solvent - Exchange Equilibria Measurements, J. Am. Chem. Soc., 1982, 104, 23, 6255, https://doi.org/10.1021/ja00387a016 . [all data]

Grimsrud and Kebarle, 1973
Grimsrud, E.P.; Kebarle, P., Gas Phase Ion Equilibria Studies of the Solvation of the Hydrogen Ion by Methanol, Dimethyl Ether and Water. Effect of Hydrogen Bonding, J. Am. Chem. Soc., 1973, 95, 24, 7939, https://doi.org/10.1021/ja00805a002 . [all data]

Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D., Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules, J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]

Keesee and Castleman, 1986
Keesee, R.G.; Castleman, A.W., Jr., Thermochemical data on Ggs-phase ion-molecule association and clustering reactions, J. Phys. Chem. Ref. Data, 1986, 15, 1011. [all data]

Hiraoka, Takimoto, et al., 1987
Hiraoka, K.; Takimoto, H.; Yamabe, S., Stabilities and Structures in Cluster Ions of Five-Membered Heterocyclic Compounds Containing O, N and S Atoms, J. Am. Chem. Soc., 1987, 109, 24, 7346, https://doi.org/10.1021/ja00258a018 . [all data]

Chowdhury, Grimsrud, et al., 1987
Chowdhury, S.; Grimsrud, E.P.; Kebarle, P., Bonding of Charged Delocalized Anions to Protic and Dipolar Aprotic Solvent Molecules, J. Phys. Chem., 1987, 91, 10, 2551, https://doi.org/10.1021/j100294a021 . [all data]

Chowdhury, 1987
Chowdhury, S. Grimsrud, Bonding of Charge Delocalized Anions to Protic and Dipolar Aprotic Solvents, J. Phys. Chem., 1987, 91, 10, 2551, https://doi.org/10.1021/j100294a021 . [all data]

Dolliver, Gresham, et al., 1938, 2
Dolliver, M.A.; Gresham, T.L.; Kistiakowsky, G.B.; Smith, E.A.; Vaughan, W.E., Heats of organic reactions. VI. Heats of hydrogenation of some oxygen-containing compounds, J. Am. Chem. Soc., 1938, 60, 440-450. [all data]

Operti, Tews, et al., 1988
Operti, L.; Tews, E.C.; Freiser, B.S., Determination of Gas-Phase Ligand Binding Energies to Mg+ by FTMS Techniques, J. Am. Chem. Soc., 1988, 110, 12, 3847, https://doi.org/10.1021/ja00220a020 . [all data]

Nakashima and Adamson, 1982
Nakashima, M.; Adamson, A.W., J. Phys. Chem., 1982, 86, 2905. [all data]

Klassen, Selke, et al., 1990
Klassen, J.K.; Selke, M.; Sorensen, A.A.; Yang, G.K., J. Am. Chem. Soc., 1990, 112, 1267. [all data]

Yang, Peters, et al., 1986
Yang, G.K.; Peters, K.S.; Vaida, V., Chem. Phys. Lett., 1986, 125, 566. [all data]

Allinger, Glaser, et al., 1981
Allinger, N.L.; Glaser, J.A.; Davis, H.E., Heats of hydrogenation of some vinyl ethers and related compounds, J. Org. Chem., 1981, 46, 658-661. [all data]

Nolan, Stern, et al., 1989
Nolan, S.P.; Stern, D.; Marks, T.J., J. Am. Chem. Soc., 1989, 111, 7844. [all data]

Schock, Seyam, et al., 1988
Schock, L.E.; Seyam, A.M.; Sabat, M.; Marks, T.J., Polyhedron, 1988, 7, 1517. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Holmes and Lossing, 1991
Holmes, J.L.; Lossing, F.P., Ionization energies of homologous organic compounds and correlation with molecular size, Org. Mass Spectrom., 1991, 26, 537. [all data]

Behan, Dean, et al., 1976
Behan, J.M.; Dean, F.M.; Johnstone, R.A.W., Photoelectron spectra of cyclic aromatic ethers. The question of the Mills-Nixon effect, Tetrahedron, 1976, 32, 167. [all data]

Doucet, Sauvageau, et al., 1972
Doucet, J.; Sauvageau, P.; Sandorfy, C., The vacuum ultraviolet spectrum of tetrahydrofuran, Chem. Phys. Lett., 1972, 17, 316. [all data]

Hernandez, 1963
Hernandez, G.J., Vacuum-ultraviolet absorption spectra of the cyclic ethers: trimethylene oxide, tetrahydrofuran, and tetrahydropyran, J. Chem. Phys., 1963, 38, 2233. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Gerson, Worley, et al., 1978
Gerson, S.H.; Worley, S.D.; Bodor, N.; Kaminski, J.J.; Flechtner, T.W., The photoelectron spectra of some heterocyclic compounds which contain N, O, Cl, and Br, J. Electron Spectrosc. Relat. Phenom., 1978, 13, 421. [all data]

Schmidt and Schweig, 1974
Schmidt, H.; Schweig, A., Notiz zur transanularen n/π-Wechselwirkung in 2,5-Dihydrofuran, Chem. Ber., 1974, 107, 725. [all data]

Pignataro and Distefano, 1974
Pignataro, S.; Distefano, G., n-σ mixing in pentatomic heterocyclic compounds of sixth group by photoelectron spectroscopy, Chem. Phys. Lett., 1974, 26, 356. [all data]

Bain, Bunzli, et al., 1973
Bain, A.D.; Bunzli, J.C.; Frost, D.C.; Weiler, L., Photoelectron spectra of cyclic ethers, J. Am. Chem. Soc., 1973, 95, 291. [all data]

Gallegos and Kiser, 1962
Gallegos, E.J.; Kiser, R.W., Electron impact spectroscopy of the four- and five-membered, saturated heterocyclic compounds containing nitrogen, oxygen and sulfur, J. Phys. Chem., 1962, 66, 136. [all data]

Collin and Conde-Caprace, 1966
Collin, J.E.; Conde-Caprace, G., Ionization and dissociation of cyclic ethers by electron impact, Intern. J. Mass Spectrom. Ion Phys., 1966, 1, 213. [all data]

Pickett, Hoeflich, et al., 1951
Pickett, L.W.; Hoeflich, N.J.; Liu, T.-C., The vacuum ultraviolet absorption spectra of cyclic compounds. II. Tetrahydrofuran, tetrahydropyran, 1,4-dioxane and furan, J. Am. Chem. Soc., 1951, 73, 4865-4869. [all data]

Dallos, Sisak, et al., 2000
Dallos, A.; Sisak, A.; Kulcsár, Z.; Kováts, E., Pair-wise interactions by gas chromatography VII. Interaction free enthalpies of solutes with secondary alcohol groups, J. Chromatogr. A, 2000, 904, 2, 211-242, https://doi.org/10.1016/S0021-9673(00)00908-0 . [all data]

Reddy, Dutoit, et al., 1992
Reddy, K.S.; Dutoit, J.-Cl.; Kovats, E. sz., Pair-wise interactions by gas chromatography. I. Interaction free enthalpies of solutes with non-associated primary alcohol groups, J. Chromatogr., 1992, 609, 1-2, 229-259, https://doi.org/10.1016/0021-9673(92)80167-S . [all data]

Dutoit, 1991
Dutoit, J., Gas chromatographic retention behaviour of some solutes on structurally similar polar and non-polar stationary phases, J. Chromatogr., 1991, 555, 1-2, 191-204, https://doi.org/10.1016/S0021-9673(01)87179-X . [all data]

Tiess, 1984
Tiess, D., Gaschromatographische Retentionsindices von 125 leicht- bis mittelflüchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30, Wiss. Z. Wilhelm-Pieck-Univ. Rostock Math. Naturwiss. Reihe, 1984, 33, 6-9. [all data]

Winskowski, 1983
Winskowski, J., Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen Detektoren, Chromatographia, 1983, 17, 3, 160-165, https://doi.org/10.1007/BF02271041 . [all data]

Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]

Riedo, Fritz, et al., 1976
Riedo, F.; Fritz, D.; Tarján, G.; Kováts, E.Sz., A tailor-made C₈₇ hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 1976, 126, 63-83, https://doi.org/10.1016/S0021-9673(01)84063-2 . [all data]

Jonas, Janák, et al., 1966
Jonas, J.; Janák, J.; Kratochvíl, M., Structural investigations with the aid of Kovats retention index system on one (nonpolar) stationary phase, J. Gas Chromatogr., 1966, 4, 9, 332-335, https://doi.org/10.1093/chromsci/4.9.332 . [all data]

Janák, Jonas, et al., 1965
Janák, J.; Jonas, J.; Kratochvíl, M., Identification of some acetals of the tetrahydrofurane sereis by gas chromatography with the aid of the Kováts indices, Collect. Czech. Chem. Commun., 1965, 30, 1, 265-276, https://doi.org/10.1135/cccc19650265 . [all data]

Wehrli and Kováts, 1959
Wehrli, A.; Kováts, E., Gas-chromatographische Charakterisierung ogranischer Verbindungen. Teil 3: Berechnung der Retentionsindices aliphatischer, alicyclischer und aromatischer Verbindungen, Helv. Chim. Acta, 1959, 7, 7, 2709-2736, https://doi.org/10.1002/hlca.19590420745 . [all data]

Shimadzu, 2003
Shimadzu, Gas chromatography analysis of organic solvents using capillary columns (No. 2), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]

Rembold, Wallner, et al., 1989
Rembold, H.; Wallner, P.; Nitz, S.; Kollmannsberger, H.; Drawert, F., Volatile components of chickpea (Cicer arietinum L.) seed, J. Agric. Food Chem., 1989, 37, 3, 659-662, https://doi.org/10.1021/jf00087a018 . [all data]

Yamaguchi and Shibamoto, 1979
Yamaguchi, K.; Shibamoto, T., Volatile constituents of Castanopsis flower, J. Agric. Food Chem., 1979, 27, 4, 847-850, https://doi.org/10.1021/jf60224a025 . [all data]

Annino and Villalobos, 1999
Annino, R.; Villalobos, R., A strategy for the simplification and solution of complex chromatographic analysis problems utilizing two-dimensional mapping of retention indexes followed by computer modeling of heart cuts from serially coupled columns containing different stationary phases, J. Hi. Res. Chromatogr., 1999, 22, 10, 589-593. [all data]

Goebel, 1982
Goebel, K.-J., Gaschromatographische Identifizierung Niedrig Siedender Substanzen Mittels Retentionsindices und Rechnerhilfe, J. Chromatogr., 1982, 235, 1, 119-127, https://doi.org/10.1016/S0021-9673(00)95793-5 . [all data]

Anderson, Jurel, et al., 1973
Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L., Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases, Latv. PSR Zinat. Akad. Vestis Kim. Ser., 1973, 1, 51-63. [all data]

Umano, Hagi, et al., 1994
Umano, K.; Hagi, Y.; Tamura, T.; Shoji, A.; Shibamoto, T., Identification of volatile compounds isolated from round kumquat (Fortunella japonica Swingle), J. Agric. Food Chem., 1994, 42, 9, 1888-1890, https://doi.org/10.1021/jf00045a011 . [all data]

Elmore, Campo, et al., 2002
Elmore, J.S.; Campo, M.M.; Enser, M.; Mottram, D.S., Effect of lipid composition on meat-like model systems containing cysteine, ribose, and polyunsaturated fatty acids, J. Agric. Food Chem., 2002, 50, 5, 1126-1132, https://doi.org/10.1021/jf0108718 . [all data]

Elmore, Mottram, et al., 2000
Elmore, J.S.; Mottram, D.S.; Hierro, E., Two-fibre solid-phase microextraction combined with gas chromatography-mass spectrometry for the analysis of volatile aroma compounds in cooked pork, J. Chromatogr. A, 2000, 905, 1-2, 233-240, https://doi.org/10.1016/S0021-9673(00)00990-0 . [all data]

Engel, Baty, et al., 2002
Engel, E.; Baty, C.; le Corre, D.; Souchon, I.; Martin, N., Flavor-active compounds potentially implicated in cooked cauliflower acceptance, J. Agric. Food Chem., 2002, 50, 22, 6459-6467, https://doi.org/10.1021/jf025579u . [all data]

Alasalvar, Taylor, et al., 2005
Alasalvar, C.; Taylor, K.D.A.; Shahidi, F., Comparison of volatiles of cultured and wild sea bream (Sparus aurata) during storage in ice by dynamic headspace analysis/gas chromatography-mass spectrometry, J. Agric. Food Chem., 2005, 53, 7, 2616-2622, https://doi.org/10.1021/jf0483826 . [all data]

Elmore, Nisyrios, et al., 2005
Elmore, J.S.; Nisyrios, I.; Mottram, D.S., Analysis of the headspace aroma compounds of walnuts (Juglans regia L.), Flavour Fragr. J., 2005, 20, 5, 501-506, https://doi.org/10.1002/ffj.1477 . [all data]

Lebrón-Aguilar, Quintanilla-López, et al., 2007
Lebrón-Aguilar, R.; Quintanilla-López, J.E.; Tello, A.M.; Santiuste, J.M., Isothermal retention indices on poly (3,3,3-trifluoropropylmethylsiloxane) stationary phases, J. Chromatogr. A, 2007, 1160, 1-2, 276-288, https://doi.org/10.1016/j.chroma.2007.05.025 . [all data]

Shimadzu, 2003, 2
Shimadzu, Gas chromatography analysis of organic solvents using capillary columns (No. 3), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]

Kurdina, Markovich, et al., 1969
Kurdina, Z.G.; Markovich, V.E.; Sakharov, V.M., Gas chromatography of cyclic O-containing compounds in Gas chromatography, Issue # 10, NIITEKhim, Moscow, 1969, 128-133. [all data]

Anderson, 1968
Anderson, D.G., USe of Kovats retention indices and response factors for the qualitative and quantitative analysis of coating solvents, J. Paint Technol., 1968, 40, 527, 549-557. [all data]

Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D., Volatile constituents of the giant pufball mushroom (Calvatia gigantea), Leffingwell Rep., 2011, 4, 1-17. [all data]

van Loon, Linssen, et al., 2005
van Loon, W.A.M.; Linssen, J.P.H.; Legger, A.; Posthumus, M.A.; Voragen, A.G.J., Identification and olfactometry of French fries flavour extracted at mouth conditions, Food Chem., 2005, 90, 3, 417-425, https://doi.org/10.1016/j.foodchem.2004.05.005 . [all data]

Jung, Wichmann, et al., 1999
Jung, A.; Wichmann, K.-H.; Kolb, M., VOC emission of polymeric packaging materials, LaborPraxis, 1999, 23, 9, 20-22. [all data]

Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F., Volatile components of Rooibos tea (Aspalathus linearis), J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024 . [all data]

Donetzhuber, Johansson, et al., 1976
Donetzhuber, A.; Johansson, K.; Sandstroem, C., Gas phase characterization of wood, pulp, and paper, Appl. Polymer Symp., 1976, 28, 889-901. [all data]

Farkas, Héberger, et al., 2004
Farkas, O.; Héberger, K.; Zenkevich, I.G., Quantitative structure-retention relationships. XIV. Prediction of gas chromatographic retention indices for saturated O-, N-, and S-heterocyclic compounds, Chemom. Intell. Lab. Syst., 2004, 72, 2, 173-184, https://doi.org/10.1016/j.chemolab.2004.01.012 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technical_series₁997-01-01₁.pdf. [all data]

Mateo and Zumalacárregui, 1996
Mateo, J.; Zumalacárregui, J.M., Volatile compounds in chorizo and their changes during ripening, Meat Sci., 1996, 44, 4, 255-273, https://doi.org/10.1016/S0309-1740(96)00028-9 . [all data]

Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J., Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning, Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111 . [all data]

Kawai, Ishida, et al., 1991
Kawai, T.; Ishida, Y.; Kakiuchi, H.; Ikeda, N.; Higashida, T.; Nakamura, S., Flavor components of dried squid, J. Agric. Food Chem., 1991, 39, 4, 770-777, https://doi.org/10.1021/jf00004a031 . [all data]

Weller and Wolf, 1989
Weller, J.-P.; Wolf, M., Massenspektroskopie und Headspace-GC, Beitr. Gerichtl. Med., 1989, 47, 525-532. [all data]

P'yanova, Zvereva, et al., 1987
P'yanova, V.P.; Zvereva, M.N.; Tsypysheva, LG.; Portnova, T.V.; Kruglov, E.A., Investigating the products of thiophane synthesis, Abstr. IX All-Union Conference on Gas Chromatography, Kuibyshev State University, Kuibyshev, 1987, 308. [all data]

Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5 . [all data]

Welke, Manfroi, et al., 2012
Welke, J.E.; Manfroi, V.; Zanus, M.; Lazarotto, M.; Zini, C.A., Characterization of the volatile profile of Brazilian merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection, J. Chromatogr. A, 2012, 1226, 124-139, https://doi.org/10.1016/j.chroma.2012.01.002 . [all data]

Johanningsmeier and McFeeters, 2011
Johanningsmeier, S.D.; McFeeters, R.F., Detection of volatile spoilage metabolites in fermented cucumbers using nontargeted, comprehensive 2-dimensional gas chromatography-time-of-flight mass spectrometry (GCxGCxTOFMS), J. Food Sci., 2011, 76, 1, c168-c177, https://doi.org/10.1111/j.1750-3841.2010.01918.x . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, References

Symbols used in this document:

AE	Appearance energy
C_p,gas	Constant pressure heat capacity of gas
C_p,liquid	Constant pressure heat capacity of liquid
IE (evaluated)	Recommended ionization energy
P_c	Critical pressure
S°_gas	Entropy of gas at standard conditions
S°_liquid	Entropy of liquid at standard conditions
T	Temperature
T_boil	Boiling point
T_c	Critical temperature
T_fus	Fusion (melting) point
T_triple	Triple point temperature
V_c	Critical volume
d(ln(k_H))/d(1/T)	Temperature dependence parameter for Henry's Law constant
k°_H	Henry's Law constant at 298.15K
ΔH_trs	Enthalpy of phase transition
ΔS_trs	Entropy of phase transition
Δ_cH°_gas	Enthalpy of combustion of gas at standard conditions
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fusH	Enthalpy of fusion
Δ_fusS	Entropy of fusion
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions
Δ_vapH	Enthalpy of vaporization
Δ_vapH°	Enthalpy of vaporization at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
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Tetrahydrofuran

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Gas phase thermochemistry data

Constant pressure heat capacity of gas

Constant pressure heat capacity of gas

Condensed phase thermochemistry data

Constant pressure heat capacity of liquid

Phase change data

Enthalpy of vaporization

Enthalpy of vaporization

Antoine Equation Parameters

Enthalpy of fusion

Entropy of fusion

Enthalpy of phase transition

Entropy of phase transition

Reaction thermochemistry data

Individual Reactions

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Henry's Law data

Henry's Law constant (water solution)

Gas phase ion energetics data

Ionization energy determinations

Appearance energy determinations

Ion clustering data

Clustering reactions

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

IR Spectrum

Mass spectrum (electron ionization)

Spectrum

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Credits

Additional Data

UV/Visible spectrum

Spectrum

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Credits

Additional Data

Gas Chromatography

Kovats' RI, non-polar column, isothermal

Kovats' RI, non-polar column, temperature ramp

Kovats' RI, polar column, isothermal

Kovats' RI, polar column, temperature ramp

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

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

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

Normal alkane RI, non-polar column, isothermal

Normal alkane RI, non-polar column, temperature ramp

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

Normal alkane RI, polar column, isothermal

Normal alkane RI, polar column, custom temperature program

References

Notes