- InChI
- InChI=1S/C12H14N2O6/c1-4-7(2)10-5-9(13(16)17)6-11(14(18)19)12(10)20-8(3)15/h5-7H,4H2,1-3H3
- InChI Key
- RDJTWDKSYLLHRW-UHFFFAOYSA-N
- Formula
- C12H14N2O6
- SMILES
-
CCC(C)c1cc([N+](=O)[O-])cc([N+
](=O)[O-])c1OC(C)=O - Molecular Weight1
- 282.25
- CAS
- 2813-95-8
- Other Names
-
- Phenol, 2-(1-methylpropyl)-4,6-dinitro-, acetate
- Acetic acid, 2-(sec-butyl)-4,6-dinitrophenyl ester
- Acetic acid, (2,4-dinitro-6-s-butylphenyl) ester
- Acetic acid, (4,6-dinitro-2-s-butylphenyl) ester
- O-Acetyl-2-sec-butyl-4,6-dinitrophenol
- Aretit
- 2-sek.Butyl-4,6-dinitrofenylester kyseliny octove
- 2-sec-Butyl-4,6-dinitrophenylacetate
- 6-sec-Butyl-2,4-dinitrophenylacetate
- 2,4-Dinitro-6-s-butylfenylester kyseliny octove
- 2,4-Dinitro-6-sek.butyl-phenylacetat
- 4,6-Dinitro-2-s-butylphenyl acetate
- Dinosebe acetate
- HOE 2904
- 2-(2-Hydroxy-3,5-dinitrophenyl)butane acetate
- Ivosit
- 2-(1-Methylpropyl)-4,6-dinitrophenyl acetate
- Phenol, 2-sec-butyl-4,6-dinitro-, acetate
- Phenol, 2-(1-methylpropyl)-4,6-dinitro-, acetate (ester)
- Phenol, 2-sec-butyl-4,6-dinitro-, acetate (ester)
- 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).
- 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 | 0.8163 | Relay (1.0) Calculated Property | |
| ΔfG° | -31.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -374.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.942 | Crippen Calculated Property | |
| McVol | 198.460 | ml/mol | McGowan Calculated Property |
| Pc | 2485.07 | kPa | Joback Calculated Property |
| Inp | [1894.00; 1908.00] |
|
|
| Inp | 1894.00 | NIST | |
| Inp | 1908.00 | NIST | |
| Tboil | 568.18 | K | Relay (1.0) Calculated Property |
| Tc | 864.26 | K | Relay (1.0) Calculated Property |
| Tfus | 329.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.682 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [587.38; 633.07] | J/mol×K | [895.11; 1146.04] |
|
| Cp,gas | 587.38 | J/mol×K | 895.11 | Joback Calculated Property |
| Cp,gas | 597.78 | J/mol×K | 936.93 | Joback Calculated Property |
| Cp,gas | 607.02 | J/mol×K | 978.75 | Joback Calculated Property |
| Cp,gas | 615.15 | J/mol×K | 1020.57 | Joback Calculated Property |
| Cp,gas | 622.18 | J/mol×K | 1062.40 | Joback Calculated Property |
| Cp,gas | 628.15 | J/mol×K | 1104.22 | Joback Calculated Property |
| Cp,gas | 633.07 | J/mol×K | 1146.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dinoseb acetate.
Sources
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