- InChI
- InChI=1S/C16H20N2O6/c1-2-3-4-5-6-7-8-9-24-16(19)13-10-14(17(20)21)12-15(11-13)18(22)23/h6-7,10-12H,2-5,8-9H2,1H3/b7-6-
- InChI Key
- NGPMTKXASHVMHN-SREVYHEPSA-N
- Formula
- C16H20N2O6
- SMILES
-
CCCCCC=CCCOC(=O)c1cc([N+](=O)[
O-])cc([N+](=O)[O-])c1 - Molecular Weight1
- 336.34
- 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 | 0.9601 | Relay (... Calculated Property | |
| ΔfG° | 94.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -380.45 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 56.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.52 | kJ/mol | Relay (... Calculated Property |
| IE | 9.86 | eV | Relay (... Calculated Property |
| log10WS | -5.47 | Relay (... Calculated Property | |
| logPoct/wat | 4.186 | Crippen Calculated Property | |
| McVol | 250.520 | ml/mol | McGowan Calculated Property |
| Pc | 1840.41 | kPa | Joback Calculated Property |
| Inp | 2525.00 | NIST | |
| Tboil | 624.89 | K | Relay (... Calculated Property |
| Tc | 912.68 | K | Relay (... Calculated Property |
| Tfus | 291.09 | K | Relay (... Calculated Property |
| Vc | 0.875 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [785.69; 838.65] | J/mol×K | [986.25; 1228.93] | 
|
| Cp,gas | 785.69 | J/mol×K | 986.25 | Joback Calculated Property |
| Cp,gas | 796.78 | J/mol×K | 1026.70 | Joback Calculated Property |
| Cp,gas | 806.88 | J/mol×K | 1067.14 | Joback Calculated Property |
| Cp,gas | 816.04 | J/mol×K | 1107.59 | Joback Calculated Property |
| Cp,gas | 824.34 | J/mol×K | 1148.04 | Joback Calculated Property |
| Cp,gas | 831.85 | J/mol×K | 1188.49 | Joback Calculated Property |
| Cp,gas | 838.65 | J/mol×K | 1228.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-Non-3-enyl 3,5-dinitrobenzoate.
Sources
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