- 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
- InChI Key
- CHIFOSRWCNZCFN-UHFFFAOYSA-N
- Formula
- C13H19N3O4
- SMILES
-
CCC(CC)Nc1c([N+](=O)[O-])cc(C)
c(C)c1[N+](=O)[O-] - Molecular Weight1
- 281.31
- CAS
- 40487-42-1
- 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
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 290.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -94.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.69 | kJ/mol | Joback Calculated Property |
| log10WS | -5.52 | Crippen Calculated Property | |
| logPoct/wat | 3.720 | Crippen Calculated Property | |
| McVol | 215.090 | ml/mol | McGowan Calculated Property |
| Pc | 2163.33 | kPa | Joback Calculated Property |
| Inp | [1988.00; 2077.00] |
|
|
| Inp | 2038.00 | NIST | |
| Inp | 2044.00 | NIST | |
| Inp | 2077.00 | NIST | |
| Inp | 2046.00 | NIST | |
| Inp | 2047.00 | NIST | |
| Inp | 2038.00 | NIST | |
| Inp | Outlier 1988.00 | NIST | |
| Inp | 2038.00 | NIST | |
| Inp | 2077.00 | NIST | |
| I | 2768.00 | NIST | |
| Tboil | 896.85 | K | Joback Calculated Property |
| Tc | 1140.92 | K | Joback Calculated Property |
| Tfus | 327.85 ± 0.20 | K | NIST |
| Vc | 0.849 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [660.15; 718.82] | J/mol×K | [896.85; 1140.92] |
|
| Cp,gas | 660.15 | J/mol×K | 896.85 | Joback Calculated Property |
| Cp,gas | 672.42 | J/mol×K | 937.53 | Joback Calculated Property |
| Cp,gas | 683.63 | J/mol×K | 978.21 | Joback Calculated Property |
| Cp,gas | 693.82 | J/mol×K | 1018.88 | Joback Calculated Property |
| Cp,gas | 703.05 | J/mol×K | 1059.56 | Joback Calculated Property |
| Cp,gas | 711.37 | J/mol×K | 1100.24 | Joback Calculated Property |
| Cp,gas | 718.82 | J/mol×K | 1140.92 | Joback Calculated Property |
| ΔfusH | 25.19 | kJ/mol | 327.50 | NIST |
Similar Compounds
Find more compounds similar to Pendimethalin.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.