- InChI
- InChI=1S/C9H12NO6P/c1-7-6-8(4-5-9(7)10(11)12)16-17(13,14-2)15-3/h4-6H,1-3H3
- InChI Key
- MJNAIAPNXYJWCT-UHFFFAOYSA-N
- Formula
- C9H12NO6P
- SMILES
-
COP(=O)(OC)Oc1ccc([N+](=O)[O-]
)c(C)c1 - Molecular Weight1
- 261.17
- CAS
- 2255-17-6
- Other Names
-
- Accothion O-analog
- BAY 42247
- m-Cresol, 4-Nitro-, dimethyl phosphate
- Dimethyl 4-nitro-m-tolyl phosphate
- Fenitrooxon
- Fenitrooxone
- Fenitrothion oxon
- Fenitrothion oxygen analog
- Metaoxon
- Oxo-Sumithion
- Phosphoric acid, dimethyl 4-nitro-m-tolyl ester
- Sumioxon
- Sumioxone
- O,O-Dimethyl O-(3-methyl-4-nitrophenyl)phosphate
- Fenitroxon
- 3-Methyl-4-nitrophenyl dimethyl phosphate
- Fenitrothion O-analog
- 3-Methyldimethylparaoxon
- O,O-Dimethyl O-(3-methyl-4-nitrophenyl)phosphorate
- 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 | 0.6894 | Relay (1.0) Calculated Property | |
| ΔfG° | -220.18 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -648.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 86.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.683 | Crippen Calculated Property | |
| McVol | 175.270 | ml/mol | McGowan Calculated Property |
| Pc | 2393.37 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1800.00; 1871.00] |
|
|
| Inp | 1871.00 | NIST | |
| Inp | 1800.00 | NIST | |
| Inp | 1800.00 | NIST | |
| Tboil | 597.05 | K | Relay (1.0) Calculated Property |
| Tc | 822.23 | K | Relay (1.0) Calculated Property |
| Tfus | 296.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.649 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phosphoric acid, dimethyl 3-methyl-4-nitrophenyl ester.
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
- McGowan Method
- NIST Webbook
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