Pentanoic acid, TMS derivative
- Formula: C8H18O2Si
- Molecular weight: 174.3128
- IUPAC Standard InChI: InChI=1S/C8H18O2Si/c1-5-6-7-8(9)10-11(2,3)4/h5-7H2,1-4H3
- IUPAC Standard InChIKey: KBBNGLHDTQGESG-UHFFFAOYSA-N
- CAS Registry Number: 26429-16-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Pentanoic acid, trimethylsilyl ester; Valeric acid, trimethylsilyl ester; Trimethylsilyl pentanoate
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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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 974. | Tret'yakov, 2008 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
| Capillary | VF-5MS | 973.1 | Tret'yakov, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
| Capillary | Methyl Silicone | 975. | Peng, Yang, et al., 1991 | Program: not specified |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | Carbowax 20M | 1123. | Peng, Yang, et al., 1991 | Supelcoport, 40. C @ 4. min, 8. K/min; Column length: 3.05 m; Tend: 200. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 977. | Isidorov, Kotowska, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Tstart: 50. C; Tend: 300. C |
| Capillary | HP-5MS | 1015. | Lee, Yanamandra, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 70. C @ 3. min, 4. K/min, 280. C @ 3. min |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tret'yakov, 2008
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]
Tret'yakov, 2007
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]
Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Maltby, D.,
Prediction of retention indexes. III. Silylated derivatives of polar compounds,
J. Chromatogr., 1991, 586, 1, 113-129, https://doi.org/10.1016/0021-9673(91)80029-G
. [all data]
Isidorov, Kotowska, et al., 2005
Isidorov, V.A.; Kotowska, U.; Vinogorova, V.T.,
GC Identification of organic compounds based on partition coefficients of their TMS derivatives in a hexane-acetonitrile system and retention indices,
Anal. Sci., 2005, 21, 12, 1483-1489, https://doi.org/10.2116/analsci.21.1483
. [all data]
Lee, Yanamandra, et al., 2002
Lee, B.Y.; Yanamandra, K.; Thurmon, T.F.,
Quantitative estimation of organic analytes with a capillary column,
Am. Clin. Lab., 2002, May, 30-34. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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