- InChI
- InChI=1S/C15H18N2O6/c1-5-10(4)12-7-11(16(19)20)8-13(17(21)22)15(12)23-14(18)6-9(2)3/h6-8,10H,5H2,1-4H3
- InChI Key
- ZRDUSMYWDRPZRM-UHFFFAOYSA-N
- Formula
- C15H18N2O6
- SMILES
-
CCC(C)c1cc([N+](=O)[O-])cc([N+
](=O)[O-])c1OC(=O)C=C(C)C - Molecular Weight1
- 322.32
- Other Names
-
- 2-Butenoic acid, 3-methyl-, 2-(1-methylpropyl)-4,6-dinitrophenyl ester
- 2-sec-Butyl-4,6-dinitrophenyl 3-methylcrotonate
- Crotonic acid, 3-methyl-, 2-sec-butyl-4,6-dinitrophenyl ester
- Acricid
- Ambox
- 2-sek.Butyl-4,6-dinitrofenylester kyseliny 3-methylkrotonove
- 2-sec-Butyl-4,6-dinitrophenyl-3,3-dimethylacrylate
- 2-sec-Butyl-4,6-dinitrophenyl 3-methyl-2-butenoate
- 2-sec-Butyl-4,6-dinitrophenyl senecioate
- Dapacryl
- 3,3 Dimethyl-acrylate de 2,4-dinitro-6-(1-methylpropyle) phenyle
- 3,3-Dimethylacrylic acid 2-sec-butyl-4,6-dinitrophenyl ester
- Dinapacryl
- 4,6-Dinitro-2-sec-butylphenyl «beta»,«beta»-dimethylacrylate
- 2,4-Dinitro-6-sec-butylphenyl 2-methylcrotonate
- 4,6-Dinitrophenyl-2-sec-butyl-3-methyl-2-butenonate
- Dinoseb, 3,3-dimethylacryl ester
- Dinoseb methacrylate
- Endosan
- ENT 25,793
- FMC 9044
- HOE 2784
- HOE 2784 OA
- 3-Methyl-2-butenoic acid 2-sec-butyl-4,6-dinitrophenyl ester
- 3-Methyl-2-butenoic acid 2-(1-methylpropyl)-4,6-dinitrophenyl ester
- 3-Methylcrotonic acid 2-sec-butyl-4,6-dinitrophenyl ester
- (6-(1-Methyl-propyl)-2,4-dinitro-fenyl)-3,3-dimethyl-acrylaat
- 2-(1-Methylpropyl)-4,6-dinitrophenyl «beta»,«beta»-dimethacrylate
- (6-(1-Methyl-propyl)-2,4-dinitro-phenyl)-3,3-dimethyl-acrylat
- (6-(1-Metil-propil)-2,4-dinitro-fenil)-3,3-dimetil-acrilato
- Morocide
- Morrocid
- NIA 9044
- Niagara 9044
- Phenol, 2-sec-butyl-4,6-dinitro-, 3-methylcrotonate
- Senecioic acid 2-sec butyl-4,6-dinitrophenyl ester
- 2-sec-Butyl-4,6-dinitrophenyl 3-methylcrotonate (binapacryl)
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 49.94 | kJ/mol | Joback Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.888 | Crippen Calculated Property | |
| McVol | 236.430 | ml/mol | McGowan Calculated Property |
| Inp | [2200.00; 2247.00] |
|
|
| Inp | 2200.00 | NIST | |
| Inp | 2247.00 | NIST | |
| Tfus | 343.76 ± 0.20 | K | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [722.87; 772.17] | J/mol×K | [949.92; 1199.20] |
|
| Cp,gas | 722.87 | J/mol×K | 949.92 | Joback Calculated Property |
| Cp,gas | 733.72 | J/mol×K | 991.47 | Joback Calculated Property |
| Cp,gas | 743.43 | J/mol×K | 1033.01 | Joback Calculated Property |
| Cp,gas | 752.06 | J/mol×K | 1074.56 | Joback Calculated Property |
| Cp,gas | 759.69 | J/mol×K | 1116.11 | Joback Calculated Property |
| Cp,gas | 766.37 | J/mol×K | 1157.66 | Joback Calculated Property |
| Cp,gas | 772.17 | J/mol×K | 1199.20 | Joback Calculated Property |
| ΔfusH | 18.89 | kJ/mol | 341.30 | NIST |
Similar Compounds
Find more compounds similar to Binapacryl.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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