2(3H)-Furanone, dihydro-5-methyl-
- Formula: C5H8O2
- Molecular weight: 100.1158
- IUPAC Standard InChIKey: GAEKPEKOJKCEMS-UHFFFAOYSA-N
- CAS Registry Number: 108-29-2
- 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. - Species with the same structure:
- Other names: γ-Methyl-γ-butyrolactone; γ-Pentalactone; γ-Valerolactone; Pentanoic acid, 4-hydroxy-, γ-lactone; 4-Hydroxypentanoic acid lactone; 4-Hydroxyvaleric acid lactone; 4-Methyl-γ-butyrolactone; 4-Pentanolide; 4-Valerolactone; γ-Pentanolactone; γ-Valerolakton; Dihydro-5-methyl-2(3H)-furanone; Valeric acid, 4-hydroxy-, gamma-lactone; gamma-Valerolactone; 5-Methyldihydrofuran-2(3H)-one; 5-methyltetrahydrofuran-2-one; Dihydro-5-methyl-2-furanone; (.+/-.)-γ-Valerolactone; (.+/-.)-4-Methylbutyrolactone; 5-Methyltetrahydro-2-furanone; NSC 33700; Valeric acid, 4-hydroxy-, γ-lactone; 5-Methyldihydro-2(3H)-furanone; Pentan-4-olide; 5-Methyloxolan-2-one; Valerolactone
- Information on this page:
- Other data available:
- Options:
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Gas phase thermochemistry data
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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 | -97.16 ± 0.26 | kcal/mol | Ccb | Leitao, Pilcher, et al., 1990 | See Brown, Conn, et al., 1989 |
Phase change data
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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 as indicated in comments:
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
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 480.7 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 12.9 ± 0.05 | kcal/mol | GS | Emel'yanenko, Kozlova, et al., 2008 | Based on data from 276. to 350. K. See also Emel'yanenko, Verevkin, et al., 2009.; AC |
ΔvapH° | 13.1 ± 0.1 | kcal/mol | C | Leitao, Pilcher, et al., 1990 | See Brown, Conn, et al., 1989; ALS |
ΔvapH° | 13.1 | kcal/mol | N/A | Leitao, Pilcher, et al., 1990 | DRB |
ΔvapH° | 13.1 ± 0.1 | kcal/mol | C | Leitao, Pilcher, et al., 1990 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
12.8 | 325. | A | Stephenson and Malanowski, 1987 | Based on data from 310. to 480. K. See also Stull, 1947.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
310.7 to 480.7 | 3.48033 | 1315.022 | -105.793 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
- SALTED SOLUTION (CCl4 FOR 3800-1330, CS2 FOR 1330-450 CM-1); BECKMAN IR-9 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- SOLUTION (10% CCl4 FOR 2.0-7.5, 10% CS2 FOR 7.5-16.0 MICRON); BAIRD (PRISM); DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
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 | NIST Mass Spectrometry Data Center, 1998. |
NIST MS number | 291502 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 898. | Takeoka, Perrino, et al., 1996 | 60. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; Tend: 220. C |
Capillary | DB-1 | 902. | Takeoka, Perrino, et al., 1996 | 60. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; Tend: 220. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-5 | 954. | Engel and Ratel, 2007 | 60. m/0.32 mm/1. μm, 40. C @ 2. min, 3. K/min, 230. C @ 10. min |
Capillary | CP Sil 8 CB | 940. | Mahadevan and Farmer, 2006 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | BPX-5 | 978. | Dickschat J.S., Wagner-Dobler I., et al., 2005 | 25. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 300. C |
Capillary | HP-5 | 965. | Solina, Baumgartner, et al., 2005 | 25. m/0.2 mm/1. μm, He, 5. K/min, 280. C @ 5. min; Tstart: 40. C |
Capillary | DB-5 | 950. | Dallüge, van Stee, et al., 2002 | 30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C |
Capillary | DB-1 | 914. | Wu, Kuo, et al., 1991 | 50. m/0.32 mm/1.05 μm, He, 2. K/min, 260. C @ 40. min; Tstart: 40. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1619. | Cho, Choi, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min, 200. C @ 10. min |
Capillary | CP-Wax 52CB | 1595. | Mahadevan and Farmer, 2006 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 1589. | Aubert, Günata, et al., 2003 | 30. m/0.32 mm/0.5 μm, 40. C @ 3. min, 2. K/min, 245. C @ 20. min |
Capillary | DB-Wax | 1589. | Aubert, Günata, et al., 2003 | 30. m/0.32 mm/0.5 μm, 40. C @ 3. min, 2. K/min, 245. C @ 20. min |
Capillary | Supelcowax-10 | 1619. | Chung, 2000 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 195. C @ 90. min; Tstart: 35. C |
Capillary | DB-Wax | 1600. | Iwaoka, Hagi, et al., 1994 | He, 40. C @ 5. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1590. | Cantergiani, Brevard, et al., 2001 | 30. m/0.25 mm/0.25 μm; Program: 20C(30s) => fast => 60C => 4C/min => 220C (20min) |
Capillary | DB-Wax | 1648. | Radovic, Careri, et al., 2001 | 30. m/0.25 mm/0.25 μm; Program: 30C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 950. | Nawrath, Mgode, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min; Tend: 320. C |
Capillary | HP-5 MS | 966. | Xu, Han, et al., 2012 | 30. m/0.25 mm/0.25 μm, 60. C @ 2. min, 15. K/min, 300. C @ 10. min |
Capillary | VF-5 MS | 953. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | VF-5 MS | 958. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | HP-5 MS | 966. | Xu, Han, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 15. K/min, 300. C @ 10. min |
Capillary | RTX-5 | 962. | Pham, Schilling, et al., 2008 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 20. K/min; Tend: 250. C |
Capillary | BPX5 | 976. | Dickschat, Bode, et al., 2005 | 25. m/0.22 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min; Tend: 320. C |
Capillary | HP-5 | 962.3 | Leffingwell and Alford, 2005 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min |
Capillary | SPB-5 | 950. | Sebastian, Viallon-Fernandez, et al., 2003 | 60. m/0.32 mm/1.0 μm, Helium, 3. K/min; Tstart: 30. C; Tend: 230. C |
Capillary | OV-101 | 921. | Egolf and Jurs, 1993 | 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | DB-1 | 943. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C |
Capillary | DB-1 | 943. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 250. C |
Capillary | OV-101 | 912. | del Rosario, de Lumen, et al., 1984 | He, 0. C @ 1. min, 3. K/min; Column length: 50. m; Column diameter: 0.31 mm; Tend: 225. C |
Capillary | OV-101 | 918. | del Rosario, de Lumen, et al., 1984 | He, 0. C @ 1. min, 3. K/min; Column length: 50. m; Column diameter: 0.31 mm; Tend: 225. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane with 5 % Ph groups | 954. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 965. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | DB-5 MS | 959. | Cajka, Hajslova, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min) |
Capillary | HP-5 | 945. | Splivallo, Bossi, et al., 2007 | He; Program: 50C => 3C/min => 200C(10min) => 10C/min => 290C(10min) |
Capillary | HP-5 | 958. | Garcia-Estaban, Ansorena, et al., 2004 | 50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min) |
Capillary | DB-5 | 958. | Garcia-Estaban, Ansorena, et al., 2004, 2 | 50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min) |
Capillary | SE-30 | 921. | Vinogradov, 2004 | Program: not specified |
Capillary | HP-5MS | 956. | Ansorena, Gimeno, et al., 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) |
Capillary | CP Sil 5 CB | 910. | Guyot, Scheirman, et al., 1999 | He; Column length: 50. m; Column diameter: 0.32 mm; Program: 30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C |
Capillary | CP Sil 5 CB | 912. | Guyot, Bouseta, et al., 1998 | 50. m/0.32 mm/1.2 μm, He; Program: 30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C |
Capillary | SPB-1 | 917. | 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 | 958. | Mateo and Zumalacárregui, 1996 | 50. m/0.32 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min) |
Capillary | RSL-150 | 912. | Buchbauer, Nikiforov, et al., 1994 | 60. m/0.32 mm/0.25 μm, He; Program: 30c (1.5min) => 20C/min => 55C => 6C/min => 200C(10min) |
Capillary | SPB-1 | 917. | 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 | 921. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Capillary | OV-101 | 921. | Shibamoto, 1987 | Program: not specified |
Capillary | OV-1 | 921. | Ramsey and Flanagan, 1982 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax | 1629. | Soria, Sanz, et al., 2008 | 50. m/0.20 mm/0.20 μm, Helium, 45. C @ 2. min, 4. K/min, 190. C @ 50. min |
Capillary | CP Wax 52 CB | 1605. | Chen, Chyau, et al., 2007 | 60. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 40. C; Tend: 220. C |
Capillary | Carbowax 20M | 1614. | Saura, LAencina, et al., 2003 | Helium, 50. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.70 mm; Tend: 280. C |
Capillary | TC-Wax | 1626. | Shuichi, Masazumi, et al., 1996 | 80. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C |
Capillary | Carbowax 20M | 1617. | Egolf and Jurs, 1993 | 2. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C |
Capillary | Carbowax 20M | 1574. | Kawakami, Kobayashi, et al., 1993 | He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C |
Capillary | Carbowax 20M | 1600. | Buttery, Ling, et al., 1983 | 50. C @ 30. min, 1. K/min, 170. C @ 60. min; Column length: 150. m; Column diameter: 0.64 mm |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1622. | Saura, LAencina, et al., 2003 | Helium; Column length: 50. m; Column diameter: 0.70 mm; Program: not specified |
Capillary | Carbowax 20M | 1617. | Shibamoto, 1987 | Program: not specified |
Capillary | Carbowax 20M | 1617. | Ramsey and Flanagan, 1982 | Program: not specified |
Capillary | Polyethylene Glycol | 1617. | MacLeod and Pieris, 1981 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Leitao, Pilcher, et al., 1990
Leitao, M.L.P.; Pilcher, H.; Meng-Yan, Y.; Brown, J.M.; Conn, A.D.,
Enthalpies of combustion of γ-butyrolactone, γ-valerolactone, and δ-valerolactone,
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Brown, Conn, et al., 1989
Brown, J.M.; Conn, A.D.; Pilcher, G.; Leitao, M.L.P.; Yang, M.-Y.,
On the strain energy of 5-ring and 6-ring lactones,
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Aldrich Chemical Company Inc., 1990
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Emel'yanenko, Kozlova, et al., 2008
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Vapour pressures and enthalpies of vapourization of a series of the «947»-lactones,
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Notes
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- Symbols used in this document:
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