- InChI
- InChI=1S/C17H24N2O6/c1-3-4-5-6-7-8-9-13(2)25-17(20)14-10-15(18(21)22)12-16(11-14)19(23)24/h10-13H,3-9H2,1-2H3
- InChI Key
- HPYNBZPBELXXHU-UHFFFAOYSA-N
- Formula
- C17H24N2O6
- SMILES
-
CCCCCCCCC(C)OC(=O)c1cc([N+](=O
)[O-])cc([N+](=O)[O-])c1 - Molecular Weight1
- 352.38
- 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 | 1.0461 | Relay (... Calculated Property | |
| ΔfG° | 20.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -490.05 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 55.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.91 | kJ/mol | Relay (... Calculated Property |
| IE | 10.02 | eV | Relay (... Calculated Property |
| log10WS | -5.78 | Relay (... Calculated Property | |
| logPoct/wat | 4.799 | Crippen Calculated Property | |
| McVol | 268.910 | ml/mol | McGowan Calculated Property |
| Pc | 1637.78 | kPa | Joback Calculated Property |
| Inp | 2532.00 | NIST | |
| Tboil | 619.74 | K | Relay (... Calculated Property |
| Tc | 910.43 | K | Relay (... Calculated Property |
| Tfus | 304.02 | K | Relay (... Calculated Property |
| Vc | 0.974 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [873.65; 924.48] | J/mol×K | [1004.53; 1243.83] | 
|
| Cp,gas | 873.65 | J/mol×K | 1004.53 | Joback Calculated Property |
| Cp,gas | 884.99 | J/mol×K | 1044.41 | Joback Calculated Property |
| Cp,gas | 895.11 | J/mol×K | 1084.30 | Joback Calculated Property |
| Cp,gas | 904.07 | J/mol×K | 1124.18 | Joback Calculated Property |
| Cp,gas | 911.91 | J/mol×K | 1164.06 | Joback Calculated Property |
| Cp,gas | 918.70 | J/mol×K | 1203.95 | Joback Calculated Property |
| Cp,gas | 924.48 | J/mol×K | 1243.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Decan-2-yl 3,5-dinitrobenzoate.
Sources
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