- InChI
- InChI=1S/C3H6N2O6/c6-4(7)10-2-1-3-11-5(8)9/h1-3H2
- InChI Key
- KOSAMXZBGUIISK-UHFFFAOYSA-N
- Formula
- C3H6N2O6
- SMILES
- O=[N+]([O-])OCCCO[N+](=O)[O-]
- Molecular Weight1
- 166.09
- CAS
- 3457-90-7
- Other Names
-
- Trimethylene dinitrate
- Trimethylene nitrate
- 1,3-Propylene glycol dinitrate
- ΔcH°liquid : Standard liquid 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -1743.00 | kJ/mol | NIST |
| ΔfG° | -164.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -391.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.27 | kJ/mol | Joback Calculated Property |
| log10WS | -1.40 | Crippen Calculated Property | |
| logPoct/wat | -0.207 | Crippen Calculated Property | |
| McVol | 99.710 | ml/mol | McGowan Calculated Property |
| Pc | 4351.13 | kPa | Joback Calculated Property |
| Inp | [1093.00; 1093.00] |
|
|
| Inp | 1093.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Tboil | 616.56 | K | Joback Calculated Property |
| Tc | 851.72 | K | Joback Calculated Property |
| Tfus | 455.25 | K | Joback Calculated Property |
| Vc | 0.404 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [245.92; 287.78] | J/mol×K | [616.56; 851.72] |
|
| Cp,gas | 245.92 | J/mol×K | 616.56 | Joback Calculated Property |
| Cp,gas | 254.21 | J/mol×K | 655.75 | Joback Calculated Property |
| Cp,gas | 262.00 | J/mol×K | 694.95 | Joback Calculated Property |
| Cp,gas | 269.26 | J/mol×K | 734.14 | Joback Calculated Property |
| Cp,gas | 275.99 | J/mol×K | 773.33 | Joback Calculated Property |
| Cp,gas | 282.17 | J/mol×K | 812.52 | Joback Calculated Property |
| Cp,gas | 287.78 | J/mol×K | 851.72 | Joback Calculated Property |
| ΔvapH | 74.30 ± 4.60 | kJ/mol | 303.00 | NIST |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, dinitrate.
Sources
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