- InChI
- InChI=1S/C11H14N2O5/c1-4-7(2)9-5-8(12(14)15)6-10(13(16)17)11(9)18-3/h5-7H,4H2,1-3H3
- InChI Key
- UVYHORVGKZXEMP-UHFFFAOYSA-N
- Formula
- C11H14N2O5
- SMILES
-
CCC(C)c1cc([N+](=O)[O-])cc([N+
](=O)[O-])c1OC - Molecular Weight1
- 254.24
- CAS
- 6099-79-2
- Other Names
-
- DNBPME
- 2,4-Dinitro-6-sec-butylphenol methyl ether
- Dinoseb, methyl ether
- Dinoseb methyl ester
- Phenol, 2-(1-methylpropyl)-4,6-dinitro-, methylated
- Phenol, 2-(1-methylpropyl), 4,6-dinitro, methyl ether
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.7570 | Relay (... Calculated Property | |
| ΔfG° | 88.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -176.40 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 37.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.40 | kJ/mol | Relay (... Calculated Property |
| IE | 9.10 | eV | Relay (... Calculated Property |
| log10WS | -4.05 | Relay (... Calculated Property | |
| logPoct/wat | 3.025 | Crippen Calculated Property | |
| McVol | 182.800 | ml/mol | McGowan Calculated Property |
| Pc | 2568.89 | kPa | Joback Calculated Property |
| Tboil | 566.82 | K | Relay (... Calculated Property |
| Tc | 854.75 | K | Relay (... Calculated Property |
| Tfus | 334.45 | K | Relay (... Calculated Property |
| Vc | 0.624 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [526.31; 582.49] | J/mol×K | [818.36; 1069.43] | 
|
| Cp,gas | 526.31 | J/mol×K | 818.36 | Joback Calculated Property |
| Cp,gas | 538.33 | J/mol×K | 860.20 | Joback Calculated Property |
| Cp,gas | 549.25 | J/mol×K | 902.05 | Joback Calculated Property |
| Cp,gas | 559.10 | J/mol×K | 943.89 | Joback Calculated Property |
| Cp,gas | 567.91 | J/mol×K | 985.74 | Joback Calculated Property |
| Cp,gas | 575.70 | J/mol×K | 1027.58 | Joback Calculated Property |
| Cp,gas | 582.49 | J/mol×K | 1069.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Anisole, 2-sec-butyl-4,6-dinitro-.
Sources
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