Ethanedioic acid, dibutyl ester
- Formula: C10H18O4
- Molecular weight: 202.2475
- IUPAC Standard InChIKey: JKRZOJADNVOXPM-UHFFFAOYSA-N
- CAS Registry Number: 2050-60-4
- 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: Oxalic acid, dibutyl ester; Di-n-butyl oxalate; Dibutyl oxalate; Oxalic acid di-n-butyl ester; Butyl ethanedioate; Butyl oxalate; Dibutyl ester of oxalic acid
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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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 512.7 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 518.7 | K | N/A | Timmermans, 1927 | Uncertainty assigned by TRC = 0.5 K; source of data not clear; TRC |
IR Spectrum
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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
Gas Phase Spectrum
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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. |
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Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
Mass spectrum (electron ionization)
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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
Spectrum
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Additional Data
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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. |
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Origin | NIST Mass Spectrometry Data Center, 1994 |
NIST MS number | 133325 |
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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | SE-30 | 220. | 1359. | Zulaïca and Guiochon, 1963 | Column length: 2. m |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 170. | 1321. | Lipp, Krasnykh, et al., 2008 | Helium; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 180. | 1320. | Lipp, Krasnykh, et al., 2008 | Helium; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 190. | 1320. | Lipp, Krasnykh, et al., 2008 | Helium; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 200. | 1319. | Lipp, Krasnykh, et al., 2008 | Helium; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 220. | 1359. | Lipp, Krasnykh, et al., 2008 | Helium; Column length: 50. m; Column diameter: 0.25 mm |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Ultra-1 | 1325. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Timmermans, 1927
Timmermans, J.,
The Melting Point of Organic Substances,
Bull. Soc. Chim. Belg., 1927, 36, 502. [all data]
Zulaïca and Guiochon, 1963
Zulaïca, J.; Guiochon, G.,
Séparation et identification de di-esters aliphatiques et aromatiques et de trimesters phosphoriques par chromatographie en phase gazeuse,
Bull. Soc. Chim. Fr., 1963, 6, 1242-1252. [all data]
Lipp, Krasnykh, et al., 2008
Lipp, S.V.; Krasnykh, E.L.; Levanova, S.V.,
Retention indices of symmetrical dicarboxylic acid esters,
Rus. J. Anal. Chem., 2008, 63, 4, 349-352, https://doi.org/10.1134/S1061934808040072
. [all data]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Notes
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- Symbols used in this document:
Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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