Propanedioic acid, dipropyl ester
- Formula: C9H16O4
- Molecular weight: 188.2209
- IUPAC Standard InChI: InChI=1S/C9H16O4/c1-3-5-12-8(10)7-9(11)13-6-4-2/h3-7H2,1-2H3
- IUPAC Standard InChIKey: LWIWFCDNJNZEKB-UHFFFAOYSA-N
- CAS Registry Number: 1117-19-7
- 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: Di-n-propyl malonate; Dipropyl malonate
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Phase change data
Go To: Top, 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: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 502.4 | K | N/A | Timmermans, 1927 | Uncertainty assigned by TRC = 0.7 K; source of data not clear |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 196.1 | K | N/A | Palomaa and Mikkila, 1942 | Uncertainty assigned by TRC = 1. K |
Mass spectrum (electron ionization)
Go To: Top, 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: 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. |
|---|---|
| Origin | Japan AIST/NIMC Database- Spectrum MS-NW-4038 |
| NIST MS number | 232141 |
Gas Chromatography
Go To: Top, Phase change data, 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
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-101 | 130. | 1220. | Lipp, Krasnykh, et al., 2008 | Helium; Column length: 50. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 140. | 1221. | Lipp, Krasnykh, et al., 2008 | Helium; Column length: 50. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 150. | 1218. | Lipp, Krasnykh, et al., 2008 | Helium; Column length: 50. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 160. | 1220. | 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 | 1220. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1227. | Vinogradov, 2004 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1700. | Vinogradov, 2004 | Program: not specified |
References
Go To: Top, Phase change data, 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.
Timmermans, 1927
Timmermans, J.,
The Melting Point of Organic Substances,
Bull. Soc. Chim. Belg., 1927, 36, 502. [all data]
Palomaa and Mikkila, 1942
Palomaa, M.H.; Mikkila, I.,
Etherlike Compounds XXVII Turbid Phases in Compounds with Reactivity Minimums,
Chem. Ber., 1942, 75B, 1659-67. [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]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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