- InChI
- InChI=1S/C17H22N2O6/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/h6-7,11-13H,2-5,8-10H2,1H3/b7-6-
- InChI Key
- MGPJETGWCBDIKR-SREVYHEPSA-N
- Formula
- C17H22N2O6
- SMILES
-
CCCCCC=CCCCOC(=O)c1cc([N+](=O)
[O-])cc([N+](=O)[O-])c1 - Molecular Weight1
- 350.37
- 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 | 1.0071 | Relay (... Calculated Property | |
| ΔfG° | 102.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -413.87 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 58.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.88 | kJ/mol | Relay (... Calculated Property |
| IE | 9.72 | eV | Relay (... Calculated Property |
| log10WS | -5.79 | Relay (... Calculated Property | |
| logPoct/wat | 4.576 | Crippen Calculated Property | |
| McVol | 264.610 | ml/mol | McGowan Calculated Property |
| Pc | 1697.70 | kPa | Joback Calculated Property |
| Inp | 2626.00 | NIST | |
| Tboil | 632.55 | K | Relay (... Calculated Property |
| Tc | 920.75 | K | Relay (... Calculated Property |
| Tfus | 298.43 | K | Relay (... Calculated Property |
| Vc | 0.929 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [843.88; 898.17] | J/mol×K | [1009.13; 1250.96] | 
|
| Cp,gas | 843.88 | J/mol×K | 1009.13 | Joback Calculated Property |
| Cp,gas | 855.21 | J/mol×K | 1049.43 | Joback Calculated Property |
| Cp,gas | 865.52 | J/mol×K | 1089.74 | Joback Calculated Property |
| Cp,gas | 874.90 | J/mol×K | 1130.04 | Joback Calculated Property |
| Cp,gas | 883.42 | J/mol×K | 1170.35 | Joback Calculated Property |
| Cp,gas | 891.15 | J/mol×K | 1210.65 | Joback Calculated Property |
| Cp,gas | 898.17 | J/mol×K | 1250.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-Dec-4-enyl 3,5-dinitrobenzoate.
Sources
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