- InChI
- InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
- InChI Key
- AMEKQAFGQBKLKX-UHFFFAOYSA-N
- Formula
- C12H13NO4S
- SMILES
-
CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)
CCO1 - Molecular Weight1
- 267.30
- CAS
- 5259-88-1
- Other Names
-
- 1,4-Oxathiin, 2,3-dihydro-5-carboxanilido-6-methyl-, 4,4-dioxide
- 1,4-Oxathiin-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-, 4,4-dioxide
- 1,4-Oxathiin-3-carboxanilide, 5,6-dihydro-2-methyl-, 4,4-dioxide
- 2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin 4,4-dioxide
- 2,3-Dihydro-6-methyl-5-phenylcarbamoyl-1,4-oxathiin-4,4-dioxide
- 5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide 4,4-dioxide
- 5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin-4,4-dioxid
- 5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide 4,4-dioxide
- Carboxin sulfone
- DCMOD
- DCMOO
- Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide 4,4-dioxide
- Dioxide of vitavax
- F 461
- F 461 (Pesticide)
- NSC 2322673
- Oxathiin-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-, 4,4-dioxide
- Oxathiin-3-carboxanilide, 5,6-dihydro-2-methyl-, 4,4-dioxide
- Oxicarboxin
- Oxycarboxine
- Oxykisvax
- Plant Wax
- Plantvax
- Plantvax 20
- Rendor
- Vitavax sulfone
- Vitavex
- 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).
- 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° | -382.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -586.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.26 | kJ/mol | Joback Calculated Property |
| log10WS | [-2.43; -2.28] |
|
|
| log10WS | -2.43 | Aq. Sol... | |
| log10WS | -2.28 | Estimat... | |
| logPoct/wat | 1.302 | Crippen Calculated Property | |
| McVol | 186.530 | ml/mol | McGowan Calculated Property |
| Pc | 3925.85 | kPa | Joback Calculated Property |
| Tboil | 691.80 | K | Joback Calculated Property |
| Tc | 921.28 | K | Joback Calculated Property |
| Tfus | 403.24 ± 0.20 | K | NIST |
| Vc | 0.700 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [491.37; 560.35] | J/mol×K | [691.80; 921.28] |
|
| Cp,gas | 491.37 | J/mol×K | 691.80 | Joback Calculated Property |
| Cp,gas | 505.71 | J/mol×K | 730.05 | Joback Calculated Property |
| Cp,gas | 518.86 | J/mol×K | 768.29 | Joback Calculated Property |
| Cp,gas | 530.87 | J/mol×K | 806.54 | Joback Calculated Property |
| Cp,gas | 541.75 | J/mol×K | 844.79 | Joback Calculated Property |
| Cp,gas | 551.57 | J/mol×K | 883.03 | Joback Calculated Property |
| Cp,gas | 560.35 | J/mol×K | 921.28 | Joback Calculated Property |
| ΔfusH | 26.66 | kJ/mol | 401.50 | NIST |
Similar Compounds
Find more compounds similar to Oxycarboxin.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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