- InChI
- InChI=1S/C17H24N2O6/c1-2-3-4-5-6-7-8-9-10-25-17(20)14-11-15(18(21)22)13-16(12-14)19(23)24/h11-13H,2-10H2,1H3
- InChI Key
- KFSXELPKFVNIRV-UHFFFAOYSA-N
- Formula
- C17H24N2O6
- SMILES
-
CCCCCCCCCCOC(=O)c1cc([N+](=O)[
O-])cc([N+](=O)[O-])c1 - Molecular Weight1
- 352.38
- 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° | 22.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -446.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.37 | kJ/mol | Joback Calculated Property |
| log10WS | -6.78 | Crippen Calculated Property | |
| logPoct/wat | 4.800 | Crippen Calculated Property | |
| McVol | 268.910 | ml/mol | McGowan Calculated Property |
| Pc | 1627.22 | kPa | Joback Calculated Property |
| Inp | [2541.00; 2581.00] |
|
|
| Inp | 2541.00 | NIST | |
| Inp | 2552.00 | NIST | |
| Inp | 2564.00 | NIST | |
| Inp | 2578.00 | NIST | |
| Inp | 2581.00 | NIST | |
| Inp | 2541.00 | NIST | |
| I | [3469.00; 3515.00] |
|
|
| I | 3469.00 | NIST | |
| I | 3490.00 | NIST | |
| I | 3505.00 | NIST | |
| I | 3515.00 | NIST | |
| I | 3469.00 | NIST | |
| Tboil | 1004.97 | K | Joback Calculated Property |
| Tc | 1242.30 | K | Joback Calculated Property |
| Tfus | 692.19 | K | Joback Calculated Property |
| Vc | 1.067 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [873.26; 924.50] | J/mol×K | [1004.97; 1242.30] |
|
| Cp,gas | 873.26 | J/mol×K | 1004.97 | Joback Calculated Property |
| Cp,gas | 884.58 | J/mol×K | 1044.53 | Joback Calculated Property |
| Cp,gas | 894.73 | J/mol×K | 1084.08 | Joback Calculated Property |
| Cp,gas | 903.73 | J/mol×K | 1123.64 | Joback Calculated Property |
| Cp,gas | 911.67 | J/mol×K | 1163.19 | Joback Calculated Property |
| Cp,gas | 918.57 | J/mol×K | 1202.75 | Joback Calculated Property |
| Cp,gas | 924.50 | J/mol×K | 1242.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to decyl 3,5-dinitrobenzoate.
Sources
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