2-Furanmethanol, tetrahydro-
- Formula: C5H10O2
- Molecular weight: 102.1317
- IUPAC Standard InChIKey: BSYVTEYKTMYBMK-UHFFFAOYSA-N
- CAS Registry Number: 97-99-4
- 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: Furfuryl alcohol, tetrahydro-; QO THFA; Tetrahydro-2-furancarbinol; Tetrahydro-2-furanmethanol; Tetrahydro-2-furanylmethanol; Tetrahydro-2-furfuryl alcohol; Tetrahydro-2-furylmethanol; Tetrahydrofurfuryl alcohol; THFA; 2-Hydroxymethyl-tetrahydrofuran; Oxolan-2-methanol; α-Tetrahydrofurfuryl alcohol; Tetrahydrofurylalkohol; Tetrahydrofurfurylalkohol; Tetrahydrofurylmethanol; Tetrahydrofuryl carbinol; NSC 15434; Oxolan-2-ylmethanol
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -88.2 ± 1.5 | kcal/mol | Ccb | Landrieu, Baylocq, et al., 1929 | Heat of formation derived by Cox and Pilcher, 1970 |
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 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 |
---|---|---|---|---|---|
ΔfH°liquid | -104.1 ± 1.4 | kcal/mol | Ccb | Landrieu, Baylocq, et al., 1929 | Heat of formation derived by Cox and Pilcher, 1970; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 52.39 | cal/mol*K | N/A | Miller, 1935 | Extrapolation below 90 K, 45.23 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
45.4 | 298.15 | Bonner and Cerutti, 1976 | DH |
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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 451.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 451. | K | N/A | Moshkin, 1955 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 330. | K | N/A | Adkins and Pavlic, 1947 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 15.9 ± 0.5 | kcal/mol | E | Landrieu, Baylocq, et al., 1929 | Heat of formation derived by Cox and Pilcher, 1970; ALS |
ΔvapH° | 15.9 | kcal/mol | N/A | Landrieu, Baylocq, et al., 1929 | DRB |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
11.0 | 408. | A | Stephenson and Malanowski, 1987 | Based on data from 393. to 453. K.; AC |
11.1 | 388. | N/A | Bludilina, Baev, et al., 1979 | Based on data from 333. to 443. K.; AC |
Gas Chromatography
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BP-1 | 874. | Health Safety Executive, 2000 | 50. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | TR-5 MS | 916. | Kurashov, Mitrukova, et al., 2014 | 15. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 min) 15 0C/min -> 240 0C (10 min) |
Capillary | SE-30 | 884. | Vinogradov, 2004 | Program: not specified |
Capillary | DB-5 | 853. | Andrade, Maia, et al., 2000 | 30. m/0.25 mm/0.25 μm, He; Program: 40C => 2C/min => 60C => 4C/min => 260C |
Capillary | Methyl Silicone | 878. | Zenkevich and Kuznetsova, 1990 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | RTX-Wax | 1501. | Prososki, Etzel, et al., 2007 | 30. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 10. K/min, 220. C @ 10. min |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1494. | Vinogradov, 2004 | Program: not specified |
Capillary | DB-Wax | 1496. | Peng, Yang, et al., 1991 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, 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.
Landrieu, Baylocq, et al., 1929
Landrieu, P.; Baylocq, F.; Johnson, J.R.,
Etude thermochimique dans la serie furanique,
Bull. Soc. Chim. France, 1929, 45, 36-49. [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]
Miller, 1935
Miller, P.,
The free energy of furfural and some of its derivatives,
Iowa State Coll. J. Sci., 1935, 10, 91-93. [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]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Moshkin, 1955
Moshkin, P.A.,
Vpr. Isolz. Pentozansoderzh. Syrya Tr. Vses. Soveshch. Riga, 1955, 1955, 225 (1958). [all data]
Adkins and Pavlic, 1947
Adkins, H.; Pavlic, A.A.,
Hydrogenation of Esters to Alcohols over Raney Nickel. I.,
J. Am. Chem. Soc., 1947, 69, 3039-41. [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]
Bludilina, Baev, et al., 1979
Bludilina, V.I.; Baev, A.K.; Matveev, V.K.; Gaidym, I.L.; Shcherbina, E.I.,
Zh. Fiz. Khim., 1979, 53, 1052. [all data]
Health Safety Executive, 2000
Health Safety Executive,
MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography
in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [all data]
Kurashov, Mitrukova, et al., 2014
Kurashov, E.A.; Mitrukova, G.G.; Krylova, Yu.V.,
Variations in the component composition of essential oil of Ceratophyllum demersum (Ceratophyllaceae) during vegetation (in press),
Plant Resources (Rastitel'nye Resursy), 2014, 1, 000-000. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Andrade, Maia, et al., 2000
Andrade, E.H.A.; Maia, J.G.S.; Zoghbi, M.G.B.,
Aroma volatile constituents of Brazilian varieties of mango fruit,
J. Food Comp. Anal., 2000, 13, 1, 27-33, https://doi.org/10.1006/jfca.1999.0841
. [all data]
Zenkevich and Kuznetsova, 1990
Zenkevich, I.G.; Kuznetsova, L.M.,
Logic Criteria on Prediction of Gas Chromatographic Retention Indices from Physico-Chemical Properties of Organic Compounds,
Dokl. Akad. Nauk SSSR, 1990, 315, 4, 881-885. [all data]
Prososki, Etzel, et al., 2007
Prososki, R.A.; Etzel, M.R.; Rankin, S.A.,
Solvent type affects the number, distribution, and relative quantities of volatile compounds found in sweet whey powder,
J. Dairy Sci., 2007, 90, 2, 523-531, https://doi.org/10.3168/jds.S0022-0302(07)71535-7
. [all data]
Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F.,
Prediction of rentention idexes. II. Structure-retention index relationship on polar columns,
J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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