- InChI
- InChI=1S/C17H23ClN2O6/c18-9-7-5-3-1-2-4-6-8-10-26-17(21)14-11-15(19(22)23)13-16(12-14)20(24)25/h11-13H,1-10H2
- InChI Key
- STQBXYQWLKKLHF-UHFFFAOYSA-N
- Formula
- C17H23ClN2O6
- SMILES
-
O=C(OCCCCCCCCCCCl)c1cc([N+](=O
)[O-])cc([N+](=O)[O-])c1 - Molecular Weight1
- 386.83
- 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 | 1.1477 | Relay (... Calculated Property | |
| ΔfG° | 10.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -506.19 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 62.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.63 | kJ/mol | Relay (... Calculated Property |
| IE | 10.42 | eV | Relay (... Calculated Property |
| log10WS | -6.48 | Relay (... Calculated Property | |
| logPoct/wat | 5.019 | Crippen Calculated Property | |
| McVol | 281.150 | ml/mol | McGowan Calculated Property |
| Pc | 1579.71 | kPa | Joback Calculated Property |
| Inp | [2988.00; 2988.00] |
|
|
| Inp | 2988.00 | NIST | |
| Inp | 2988.00 | NIST | |
| Tboil | 640.09 | K | Relay (... Calculated Property |
| Tc | 952.40 | K | Relay (... Calculated Property |
| Tfus | 324.84 | K | Relay (... Calculated Property |
| Vc | 1.008 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [891.99; 936.85] | J/mol×K | [1042.40; 1284.64] |
|
| Cp,gas | 891.99 | J/mol×K | 1042.40 | Joback Calculated Property |
| Cp,gas | 902.15 | J/mol×K | 1082.77 | Joback Calculated Property |
| Cp,gas | 911.15 | J/mol×K | 1123.15 | Joback Calculated Property |
| Cp,gas | 919.07 | J/mol×K | 1163.52 | Joback Calculated Property |
| Cp,gas | 925.95 | J/mol×K | 1203.89 | Joback Calculated Property |
| Cp,gas | 931.86 | J/mol×K | 1244.27 | Joback Calculated Property |
| Cp,gas | 936.85 | J/mol×K | 1284.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 10-Chlorodecyl 3,5-dinitrobenzoate.
Sources
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