- InChI
- InChI=1S/C3H6N2O6/c1-3(11-5(8)9)2-10-4(6)7/h3H,2H2,1H3
- InChI Key
- PSXCGTLGGVDWFU-UHFFFAOYSA-N
- Formula
- C3H6N2O6
- SMILES
-
CC(CO[N+](=O)[O-])O[N+](=O)[O-
] - Molecular Weight1
- 166.09
- CAS
- 6423-43-4
- Other Names
-
- 1,2-PROPYLENE GLYCOL DINITRATE
- 1,2-Propanediol, 1,2-dinitrate
- ISOPROPYLENE NITRATE
- NSC 62614
- PGDN
- PROPYLENE DINITRATE
- PROPYLENE GLYCOL DINITRATE
- Propylene glycol 1,2-dinitrate
- Propylene nitrate
- propane-1,2-diyl dinitrate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | -166.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -396.49 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -296.90 ± 9.30 | kJ/mol | NIST |
| ΔfusH° | 25.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.89 | kJ/mol | Joback Calculated Property |
| log10WS | -1.51 | Crippen Calculated Property | |
| logPoct/wat | -0.209 | Crippen Calculated Property | |
| McVol | 99.710 | ml/mol | McGowan Calculated Property |
| Pc | 4397.41 | kPa | Joback Calculated Property |
| Inp | [1004.00; 1004.00] |
|
|
| Inp | 1004.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Tboil | 616.12 | K | Joback Calculated Property |
| Tc | 856.44 | K | Joback Calculated Property |
| Tfus | 440.25 | K | Joback Calculated Property |
| Vc | 0.398 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [246.46; 289.14] | J/mol×K | [616.12; 856.44] |
|
| Cp,gas | 246.46 | J/mol×K | 616.12 | Joback Calculated Property |
| Cp,gas | 254.98 | J/mol×K | 656.17 | Joback Calculated Property |
| Cp,gas | 262.96 | J/mol×K | 696.23 | Joback Calculated Property |
| Cp,gas | 270.39 | J/mol×K | 736.28 | Joback Calculated Property |
| Cp,gas | 277.23 | J/mol×K | 776.33 | Joback Calculated Property |
| Cp,gas | 283.49 | J/mol×K | 816.38 | Joback Calculated Property |
| Cp,gas | 289.14 | J/mol×K | 856.44 | Joback Calculated Property |
| ΔvapH | 63.80 | kJ/mol | 308.00 | NIST |
Similar Compounds
Find more compounds similar to 1,2-Propanediol, dinitrate.
Sources
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