Pendimethalin
- Formula: C13H19N3O4
- Molecular weight: 281.3077
- IUPAC Standard InChI: InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3
- IUPAC Standard InChIKey: CHIFOSRWCNZCFN-UHFFFAOYSA-N
- CAS Registry Number: 40487-42-1
- 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: Penoxaline; Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-; Ac 92553; Prowl; Stomp; Penoxalin; Accotab; Go-Go-San; Herbadox; Herbodox; N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine; Pre-M 60DG; Prowl 3.3; Prowl 4E; Sipaxol; Way Up; Aniline, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)-; Pendimethaline; 3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline; N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidine; Phenoxalin; Southern Weed Grass Control; Stomp 330D; Stomp 330E; SWGC
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Phase change data
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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 327.85 | K | N/A | Donnelly, Drewes, et al., 1990 | Uncertainty assigned by TRC = 0.2 K; TRC |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 25.19 | 327.5 | DSC | Acree, 1991 | See also Donnelly, Drewes, et al., 1990, 2.; AC |
Gas Chromatography
Go To: Top, Phase change data, 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, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 2038. | Tanabe, Mitobe, et al., 2000 | 30. m/0.32 mm/0.25 μm; Program: 50C(1min) => 20C/min => 150C => 10C/min => 280C(4min) |
| Capillary | DB-5MS | 2044. | Tanabe, Mitobe, et al., 1996 | 30. m/0.32 mm/0.25 μm; Program: 50 C(1min)->20C/min->200C->10C/min->280C (1.5min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 2077. | Murayama, Mukai, et al., 2000 | 30. m/0.32 mm/0.25 μm, 50. C @ 1. min, 10. K/min, 300. C @ 4. min |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 2046. | Department of Food Safety and Welfare, 2006 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C(1 min) 25 0C/min -> 125 0C 10 0C/min -> 300 0C (10 min) |
| Capillary | 5 % Phenyl methyl siloxane | 2047. | Department of Food Safety and Welfare, 2006 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C(1 min) 25 0C/min -> 125 0C 10 0C/min -> 300 0C (10 min) |
| Capillary | HP-5 | 2038. | Kawara, Asada, et al., 2005 | 30. m/0.25 mm/0.25 μm; Program: 50 0C (1 min) 20 0C/min -> 150 0C 10 0C/min -> 280 0C |
| Capillary | Ultra-1 | 1988. | Tameo and Kiyos, 1991 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 2768. | Tameo and Kiyos, 1991 | Program: not specified |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Donnelly, Drewes, et al., 1990
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W.,
Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry,
Thermochim. Acta, 1990, 167, 2, 155, https://doi.org/10.1016/0040-6031(90)80476-F
. [all data]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Donnelly, Drewes, et al., 1990, 2
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W.,
Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry,
Thermochimica Acta, 1990, 167, 2, 155-187, https://doi.org/10.1016/0040-6031(90)80476-F
. [all data]
Tanabe, Mitobe, et al., 2000
Tanabe, A.; Mitobe, H.; Kawata, K.; Sakai, M.; Yasuhara, A.,
New monitoring system for ninety pesticides and related compounds in river water by solid-phase extraction with determination by gas chromatography/mass spectrometry,
J. AOAC Int., 2000, 83, 1, 61-77. [all data]
Tanabe, Mitobe, et al., 1996
Tanabe, A.; Mitobe, H.; Kawata, K.; Sakai, M.,
Monitoring of herbicides in river water by gas chromatography-mass spectrometry and solid-phase extraction,
J. Chromatogr. A, 1996, 754, 1-2, 159-168, https://doi.org/10.1016/S0021-9673(96)00221-X
. [all data]
Murayama, Mukai, et al., 2000
Murayama, H.; Mukai, H.; Mitobe, H.; Moriyama, N.,
Simple method for determining trace pesticides in air using extraction disks,
Anal. Sci., 2000, 16, 3, 257-263, retrieved from http://wwwsoc.nii.ac.;p/jsac/analsci/pdfs/a160257.pdf, https://doi.org/10.2116/analsci.16.257
. [all data]
Department of Food Safety and Welfare, 2006
Department of Food Safety, Ministry of Health; Welfare,
Analytical methods for residual compositional substances of agricultural chemicals, feed aadditives, and veterinary drugs in foods, 2006, retrieved from http://www.mhlw.go.jp/english/topics/foodsafety/positivelist060228/de/060526-1a.pdf. [all data]
Kawara, Asada, et al., 2005
Kawara, K.; Asada, T.; Oikawa, K.; Tanabe, A.,
Multiresidue determination of pesticides in sediments by ultrasonically assisted extraction and gas chromatography/mass spectrometry,
J. AOAC International, 2005, 88, 5, 1440-1451. [all data]
Tameo and Kiyos, 1991
Tameo, O.; Kiyos, I.,
Simultaneous determination of pesticides by capillary gas chromatography,
Cannot be traslated (in Japan), 1991, 14, 2, 109-122. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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