- InChI
- InChI=1S/C3H6N2O7/c6-3(1-11-4(7)8)2-12-5(9)10/h3,6H,1-2H2
- InChI Key
- ASIGVDLTBLZXNC-UHFFFAOYSA-N
- Formula
- C3H6N2O7
- SMILES
-
O=[N+]([O-])OCC(O)CO[N+](=O)[O
-] - Molecular Weight1
- 182.09
- CAS
- 623-87-0
- Other Names
-
- Glycerol, 1,3-dinitrate
- 1,3-Dinitroglycerin
- 1,3-Glyceryl dinitrate
- 1,3-DNG
- 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°liquid : Liquid 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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° | -303.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -548.72 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -477.00 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 29.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.56 | kJ/mol | Joback Calculated Property |
| log10WS | -0.78 | Crippen Calculated Property | |
| logPoct/wat | -1.236 | Crippen Calculated Property | |
| McVol | 105.580 | ml/mol | McGowan Calculated Property |
| Pc | 4987.39 | kPa | Joback Calculated Property |
| Tboil | 708.30 | K | Joback Calculated Property |
| Tc | 929.01 | K | Joback Calculated Property |
| Tfus | 501.07 | K | Joback Calculated Property |
| Vc | 0.416 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [282.85; 316.24] | J/mol×K | [708.30; 929.01] | 
|
| Cp,gas | 282.85 | J/mol×K | 708.30 | Joback Calculated Property |
| Cp,gas | 289.73 | J/mol×K | 745.09 | Joback Calculated Property |
| Cp,gas | 296.09 | J/mol×K | 781.87 | Joback Calculated Property |
| Cp,gas | 301.94 | J/mol×K | 818.66 | Joback Calculated Property |
| Cp,gas | 307.25 | J/mol×K | 855.44 | Joback Calculated Property |
| Cp,gas | 312.02 | J/mol×K | 892.23 | Joback Calculated Property |
| Cp,gas | 316.24 | J/mol×K | 929.01 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 389.20 | K | 0.08 | NIST |
Similar Compounds
Find more compounds similar to 1,2,3-Propanetriol, 1,3-dinitrate.
Sources
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