- InChI
- InChI=1S/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,17H,5-11H2,1-4H3
- InChI Key
- NMHGOXYVOKDNHF-UHFFFAOYSA-N
- Formula
- C17H29NO3S
- SMILES
-
CCCC(=NOCC)C1C(=O)CC(CC(C)SCC)
CC1=O - Molecular Weight1
- 327.48
- CAS
- 74051-80-2
- Other Names
-
- 2-[1-(ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-en-1-one
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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.
- 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 |
|---|---|---|---|
| ω | 0.6923 | Relay (1.0) Calculated Property | |
| ΔfG° | -100.84 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -534.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 87.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.875 | Crippen Calculated Property | |
| McVol | 270.570 | ml/mol | McGowan Calculated Property |
| Pc | 1371.74 | kPa | Joback Calculated Property |
| Inp | [2388.00; 2388.00] |
|
|
| Inp | 2388.00 | NIST | |
| Inp | 2388.00 | NIST | |
| Tboil | 634.64 | K | Relay (1.0) Calculated Property |
| Tc | 833.64 | K | Relay (1.0) Calculated Property |
| Tfus | 367.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.902 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Sethoxydim.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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