- InChI
- InChI=1S/C19H28N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-27-19(22)16-13-17(20(23)24)15-18(14-16)21(25)26/h13-15H,2-12H2,1H3
- InChI Key
- RNGZYLDMRQLQAR-UHFFFAOYSA-N
- Formula
- C19H28N2O6
- SMILES
-
CCCCCCCCCCCCOC(=O)c1cc([N+](=O
)[O-])cc([N+](=O)[O-])c1 - Molecular Weight1
- 380.44
- 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).
- 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.
- I : 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 |
|---|---|---|---|
| ΔfG° | 39.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -488.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.83 | kJ/mol | Joback Calculated Property |
| log10WS | -7.62 | Crippen Calculated Property | |
| logPoct/wat | 5.581 | Crippen Calculated Property | |
| McVol | 297.090 | ml/mol | McGowan Calculated Property |
| Pc | 1401.69 | kPa | Joback Calculated Property |
| Inp | [2750.00; 2791.00] |
|
|
| Inp | 2750.00 | NIST | |
| Inp | 2764.00 | NIST | |
| Inp | 2777.00 | NIST | |
| Inp | 2791.00 | NIST | |
| Inp | 2791.00 | NIST | |
| I | [3690.00; 3719.00] |
|
|
| I | 3690.00 | NIST | |
| I | 3708.00 | NIST | |
| I | 3719.00 | NIST | |
| Tboil | 1050.73 | K | Joback Calculated Property |
| Tc | 1290.47 | K | Joback Calculated Property |
| Tfus | 714.73 | K | Joback Calculated Property |
| Vc | 1.179 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [991.56; 1043.82] | J/mol×K | [1050.73; 1290.47] |
|
| Cp,gas | 991.56 | J/mol×K | 1050.73 | Joback Calculated Property |
| Cp,gas | 1003.17 | J/mol×K | 1090.69 | Joback Calculated Property |
| Cp,gas | 1013.54 | J/mol×K | 1130.64 | Joback Calculated Property |
| Cp,gas | 1022.72 | J/mol×K | 1170.60 | Joback Calculated Property |
| Cp,gas | 1030.79 | J/mol×K | 1210.55 | Joback Calculated Property |
| Cp,gas | 1037.80 | J/mol×K | 1250.51 | Joback Calculated Property |
| Cp,gas | 1043.82 | J/mol×K | 1290.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to dodecyl 3,5-dinitrobenzoate.
Sources
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