- InChI
- InChI=1S/C6H8N6O18/c13-7(14)25-1-3(27-9(17)18)5(29-11(21)22)6(30-12(23)24)4(28-10(19)20)2-26-8(15)16/h3-6H,1-2H2
- InChI Key
- DGMJZELBSFOPHH-UHFFFAOYSA-N
- Formula
- C6H8N6O18
- SMILES
-
O=[N+]([O-])OCC(O[N+](=O)[O-])
C(O[N+](=O)[O-])C(O[N+](=O)[O- ])C(CO[N+](=O)[O-])O[N+](=O)[O -] - Molecular Weight1
- 452.16
- CAS
- 130-39-2
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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).
- 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 | 1.1823 | Relay (... Calculated Property | |
| ΔcH°solid | [-2936.00; -2807.00] | kJ/mol |
|
| ΔcH°solid | -2807.00 | kJ/mol | NIST |
| ΔcH°solid | -2936.00 | kJ/mol | NIST |
| ΔfG° | -426.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -569.28 | kJ/mol | Relay (... Calculated Property |
| ΔfH°solid | -708.80 | kJ/mol | NIST |
| ΔfusH° | 72.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 141.46 | kJ/mol | Relay (... Calculated Property |
| IE | 11.76 | eV | Relay (... Calculated Property |
| log10WS | -4.22 | Relay (... Calculated Property | |
| logPoct/wat | -2.289 | Crippen Calculated Property | |
| McVol | 235.140 | ml/mol | McGowan Calculated Property |
| Pc | 3114.04 | kPa | Joback Calculated Property |
| Tboil | 557.81 | K | Relay (... Calculated Property |
| Tc | 804.56 | K | Relay (... Calculated Property |
| Tfus | 370.16 | K | Relay (... Calculated Property |
| Vc | 0.803 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [477.49; 673.20] | J/mol×K | [1380.48; 1690.63] |
|
| Cp,gas | 673.20 | J/mol×K | 1380.48 | Joback Calculated Property |
| Cp,gas | 651.31 | J/mol×K | 1432.17 | Joback Calculated Property |
| Cp,gas | 625.30 | J/mol×K | 1483.86 | Joback Calculated Property |
| Cp,gas | 595.04 | J/mol×K | 1535.56 | Joback Calculated Property |
| Cp,gas | 560.40 | J/mol×K | 1587.25 | Joback Calculated Property |
| Cp,gas | 521.26 | J/mol×K | 1638.94 | Joback Calculated Property |
| Cp,gas | 477.49 | J/mol×K | 1690.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Mannitol, hexanitrate.
Sources
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