- InChI
- InChI=1S/C7H14N2O6/c10-8(11)14-6-4-2-1-3-5-7-15-9(12)13/h1-7H2
- InChI Key
- WNRZBFNPJUBEMS-UHFFFAOYSA-N
- Formula
- C7H14N2O6
- SMILES
-
O=[N+]([O-])OCCCCCCCO[N+](=O)[
O-] - Molecular Weight1
- 222.20
- Other Names
-
- 7-nitrooxyheptyl nitrate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -130.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -473.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.18 | kJ/mol | Joback Calculated Property |
| log10WS | -3.40 | Aq. Sol... | |
| logPoct/wat | 1.353 | Crippen Calculated Property | |
| McVol | 156.070 | ml/mol | McGowan Calculated Property |
| Pc | 2770.08 | kPa | Joback Calculated Property |
| Inp | 1543.00 | NIST | |
| Tboil | 708.08 | K | Joback Calculated Property |
| Tc | 926.47 | K | Joback Calculated Property |
| Tfus | 500.33 | K | Joback Calculated Property |
| Vc | 0.627 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [437.72; 496.34] | J/mol×K | [708.08; 926.47] | 
|
| Cp,gas | 437.72 | J/mol×K | 708.08 | Joback Calculated Property |
| Cp,gas | 449.39 | J/mol×K | 744.48 | Joback Calculated Property |
| Cp,gas | 460.30 | J/mol×K | 780.88 | Joback Calculated Property |
| Cp,gas | 470.45 | J/mol×K | 817.28 | Joback Calculated Property |
| Cp,gas | 479.84 | J/mol×K | 853.68 | Joback Calculated Property |
| Cp,gas | 488.47 | J/mol×K | 890.08 | Joback Calculated Property |
| Cp,gas | 496.34 | J/mol×K | 926.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,7-Heptanediol, dinitrate.
Sources
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