- InChI
- InChI=1S/C6H12N2O6/c9-7(10)13-5-3-1-2-4-6-14-8(11)12/h1-6H2
- InChI Key
- BQJMULPFAUGVGY-UHFFFAOYSA-N
- Formula
- C6H12N2O6
- SMILES
-
O=[N+]([O-])OCCCCCCO[N+](=O)[O
-] - Molecular Weight1
- 208.17
- Other Names
-
- 6-nitrooxyhexyl nitrate
- 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 | 0.8035 | Relay (1.0) Calculated Property | |
| ΔfG° | -139.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -302.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.77 | Aq. Solubility Prediction | |
| logPoct/wat | 0.963 | Crippen Calculated Property | |
| McVol | 141.980 | ml/mol | McGowan Calculated Property |
| Pc | 3072.75 | kPa | Joback Calculated Property |
| Inp | 1438.00 | NIST | |
| Tboil | 502.10 | K | Relay (1.0) Calculated Property |
| Tc | 696.84 | K | Relay (1.0) Calculated Property |
| Tfus | 276.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.541 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [387.53; 442.88] | J/mol×K | [685.20; 907.25] | 
|
| Cp,gas | 387.53 | J/mol×K | 685.20 | Joback Calculated Property |
| Cp,gas | 398.53 | J/mol×K | 722.21 | Joback Calculated Property |
| Cp,gas | 408.83 | J/mol×K | 759.22 | Joback Calculated Property |
| Cp,gas | 418.42 | J/mol×K | 796.22 | Joback Calculated Property |
| Cp,gas | 427.29 | J/mol×K | 833.23 | Joback Calculated Property |
| Cp,gas | 435.45 | J/mol×K | 870.24 | Joback Calculated Property |
| Cp,gas | 442.88 | J/mol×K | 907.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,6-Hexanediol, dinitrate.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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