Methyl propionate
- Formula: C4H8O2
- Molecular weight: 88.1051
- IUPAC Standard InChIKey: RJUFJBKOKNCXHH-UHFFFAOYSA-N
- CAS Registry Number: 554-12-1
- 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: Propanoic acid, methyl ester; Propionic acid, methyl ester; Methyl propanoate; Methyl propylate; C2H5COOCH3; Propionate de methyle; Methylester kyseliny propionove; UN 1248; Methyl ester of propanoic acid; NSC 9375
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IR Spectrum
Go To: Top, 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
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
Gas Chromatography
Go To: Top, IR Spectrum, 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, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-1 | 333. | 615.2 | Hu, Lu, et al., 2006 | |
Capillary | DB-5 | 80. | 600. | Mijin and Antonovic, 2006 | 60. m/0.321 mm/0.25 μm, N2 |
Capillary | SE-54 | 110. | 628.2 | Grigor'eva, Vasil'ev, et al., 1989 | 15. m/0.28 mm/2.5 μm, Ar |
Capillary | SE-54 | 130. | 625.7 | Grigor'eva, Vasil'ev, et al., 1989 | 15. m/0.28 mm/2.5 μm, Ar |
Capillary | SE-54 | 150. | 624. | Grigor'eva, Vasil'ev, et al., 1989 | 15. m/0.28 mm/2.5 μm, Ar |
Capillary | OV-101 | 120. | 629. | Evans, Haken, et al., 1986 | |
Capillary | Apiezon L + KF | 70. | 610. | Svetlova, Samusenko, et al., 1986 | 30. m/0.25 mm/0.06 μm |
Capillary | SE-30 | 100. | 627. | Haken and Korhonen, 1985 | Column length: 25. m; Column diameter: 0.33 mm |
Capillary | SE-30 | 120. | 622. | Haken and Korhonen, 1985 | Column length: 25. m; Column diameter: 0.33 mm |
Capillary | SE-30 | 80. | 607. | Haken and Korhonen, 1985 | Column length: 25. m; Column diameter: 0.33 mm |
Capillary | OV-101 | 100. | 615. | Horna, Táborský, et al., 1985 | N2; Column length: 19. m; Column diameter: 0.28 mm |
Capillary | OV-101 | 100. | 627. | Haken and Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.3 mm |
Capillary | OV-101 | 120. | 629. | Haken and Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.3 mm |
Capillary | OV-101 | 80. | 618. | Haken and Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.3 mm |
Capillary | OV-101 | 80. | 618. | Komárek, Hornová, et al., 1983 | Column length: 15. m; Column diameter: 0.22 mm |
Packed | SE-30 | 150. | 617. | Ashes and Haken, 1974 | Celaton (62-72 mesh); Column length: 3.7 m |
Packed | SE-30 | 100. | 612. | Zarazir, Chovin, et al., 1970 | Chromosorb W; Column length: 2. m |
Packed | SE-30 | 150. | 607. | Germaine and Haken, 1969 | Celite 560; Column length: 3.7 m |
Packed | E-301 | 170. | 600. | Shashkova, Znamenskaia, et al., 1969 | He, Celite 545 (0.20-0.50 mm); Column length: 2. m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BP-1 | 610. | Bartley and Schwede, 1989 | He, 30. C @ 2. min, 2. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tend: 200. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-30 | 617. | Chretien and Dubois, 1978 | Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-351 | 100. | 937. | Haken and Korhonen, 1985 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Capillary | OV-351 | 80. | 909. | Haken and Korhonen, 1985 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Capillary | SP-1000 | 100. | 905. | Horna, Táborský, et al., 1985 | N2; Column length: 46. m; Column diameter: 0.23 mm |
Packed | Carbowax 20M | 100. | 916. | Zarazir, Chovin, et al., 1970 | Chromosorb W; Column length: 2. m |
Packed | Polyethylene Glycol | 170. | 906. | Shashkova, Znamenskaia, et al., 1969 | He, Celite 545 (0.20-0.50 mm); Column length: 2. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP-Sil 8CB-MS | 627. | Bruna, Hierro, et al., 2003 | 60. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min |
Capillary | CP-Sil 8CB-MS | 627. | Bruna, Hierro, et al., 2001 | 60. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | OV-101 | 614. | Golovnya, Syomina, et al., 1997 | 50. m/0.25 mm/0.25 μm, He, 8. K/min; Tstart: 140. C |
Capillary | SE-30 | 611.6 | Grigor'eva, Golovnya, et al., 1997 | 25. m/0.32 mm/1. μm, He, 8. K/min; Tstart: 140. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 621. | Beaulieu and Grimm, 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 50C (1min) => 5C/min => 100C => 10C/min => 250C (9min) |
Capillary | BPX-5 | 615. | Bauchot, Mottram, et al., 1998 | 50. m/0.32 mm/0.50 μm, He; Program: 0 0C (8 min) -> (1 min) -> 50 0C (2 min) 2.5 0C/min -> 100 0C 6 0C/min -> 250 0C |
Packed | SE-30 | 613. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP-Wax 52CB | 908. | Kourkoutas, Elmore, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 250. C |
Capillary | DB-Wax | 899. | Peng, 2000 | 15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min |
Capillary | HP-Wax | 908. | Peng, 2000 | 15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min |
Capillary | Carbowax 20M | 890. | Suárez and Duque, 1991 | 2. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tstart: 50. C; Tend: 200. C |
Capillary | Carbowax 20M | 896. | Suárez and Duque, 1991 | 2. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tstart: 50. C; Tend: 200. C |
Packed | Carbowax 20M | 885. | van den Dool and Kratz, 1963 | Celite 545, 4.6 K/min; Tstart: 75. C; Tend: 228. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 911. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 120. | 621. | Blazso, Ujszaszi, et al., 1980 | Column length: 20. m; Column diameter: 0.23 mm |
Capillary | OV-101 | 160. | 611. | Blazso, Ujszaszi, et al., 1980 | Column length: 20. m; Column diameter: 0.23 mm |
Packed | SE-30 | 70. | 626. | Yabumoto, Jennings, et al., 1977 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | RTx-1 | 618. | Dib, Bendahou, et al., 2010 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
Capillary | HP-5 | 642.6 | 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 | OV-101 | 611. | Anker, Jurs, et al., 1990 | 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Capillary | DB-1 | 618. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C |
Capillary | SE-30 | 621. | Dirinck, de Pooter, et al., 1981 | N2, 2. K/min; Column length: 200. m; Column diameter: 0.6 mm; Tstart: 20. C; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | RTx-1 | 611. | Dib, Bendahou, et al., 2010 | 60. m/0.22 mm/0.25 μm, Helium; Program: not specified |
Capillary | HP-5 | 630. | Rotsatschakul, Visesanguan, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min) |
Capillary | Methyl Silicone | 617. | Chen and Feng, 2007 | Program: not specified |
Capillary | VB-5 | 622. | Karlshøj, Nielsen, et al., 2007 | 60. m/0.25 mm/1. μm, He; Program: 35C(1min) => 4C/min => 175C => 10C/min => 260C |
Capillary | SE-30 | 617. | Liu, Liang, et al., 2007 | Program: not specified |
Capillary | SE-30 | 611. | Vinogradov, 2004 | Program: not specified |
Capillary | HP-5 | 604. | Jordán, Margaría, et al., 2002 | 30. m/0.25 mm/0.25 μm; Program: 40C (6min) => 2.5C/min => 150C => 90C/min => 250C |
Capillary | Methyl Silicone | 617. | N/A | Program: not specified |
Capillary | Methyl Silicone | 615. | Estrada and Gutierrez, 1999 | Program: not specified |
Capillary | DB-1 | 621. | Yen and Lin, 1999 | 60. m/0.32 mm/0.25 μm, N2; Program: 40 0C (10 min) 40 - 80 0C at 2 0C/min 80 - 200 0C at 5 0C/min 200 0C (10 min) |
Capillary | SPB-1 | 616. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | SPB-1 | 616. | 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 | 639. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Capillary | OV-1 | 639. | Ramsey and Flanagan, 1982 | Program: not specified |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Carbowax 20M | 100. | 901. | Yabumoto, Jennings, et al., 1977 |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 906. | Hayata, Sakamoto, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min, 220. C @ 10. min |
Capillary | HP-Wax | 872. | Sanz, Maeztu, et al., 2002 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
Capillary | HP-Wax | 872. | Maeztu, Sanz, et al., 2001 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
Capillary | HP-Wax | 872. | Sanz, Ansorena, et al., 2001 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
Capillary | Carbowax 20M | 896. | Anker, Jurs, et al., 1990 | 2. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C |
Capillary | DB-Wax | 904. | Takeoka and Butter, 1989 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 180. C |
Capillary | DB-Wax | 904. | Takeoka and Butter, 1989 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 180. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SOLGel-Wax | 905. | 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 | SOLGel-Wax | 905. | 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 | SOLGel-Wax | 911. | Johanningsmeier and McFeeters, 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Carbowax 20M | 896. | Vinogradov, 2004 | Program: not specified |
Capillary | DB-Wax | 900. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 885. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 905. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 20M | 910. | Ramsey and Flanagan, 1982 | Program: not specified |
References
Go To: Top, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hu, Lu, et al., 2006
Hu, X.-F.; Lu, C.-H.; Yin, C.-S.,
Modeling Gas Chromatographic Retention Indices of Oxygen-containing Compounds by Novel Atom-type Topological Indices,
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The temperature dependence of the retention index for n-alkyl esters of acetic, propionic, cyclohexanecarboxylic, benzoic and phenylacetic acid on DB-1 and DB-5 capillary columns,
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Variation in retention indices and equivalent chain lengths of homologous series of n-alkyl acetates, n-alkyl methyl ketones, and methyl esters of aliphatic carboxylic acids as a function of homolog number and analysis temperature,
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Solute characterization in gas chromatography by an extension of Kováts retention index system. Dispersion and selectivity indices,
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Advantage of the universal equation over the linear equation for the calculation of retention parameters of homologous series in capillary chromatography,
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Gas chromatography of homologous esters. XXIV. Studies of chlorinated methyl propanoates and butanoates on a non-polar capillary column,
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Gas chromatography of homologous esters. VI. Structure-retention increments of aliphatic esters,
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Notes
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