- InChI
- InChI=1S/C4H7N3O9/c8-5(9)14-2-1-4(16-7(12)13)3-15-6(10)11/h4H,1-3H2
- InChI Key
- RDLIBIDNLZPAQD-UHFFFAOYSA-N
- Formula
- C4H7N3O9
- SMILES
-
O=[N+]([O-])OCCC(CO[N+](=O)[O-
])O[N+](=O)[O-] - Molecular Weight1
- 241.11
- CAS
- 6659-60-5
- Other Names
-
- Butane-1,2,4-triyl nitrate
- butane-1,2,4-triyl trinitrate
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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°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).
- 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 | [-2311.00; -2177.00] | kJ/mol |
|
| ΔcH°liquid | -2311.00 | kJ/mol | NIST |
| ΔcH°liquid | -2177.00 | kJ/mol | NIST |
| ΔcH°solid | -2175.70 | kJ/mol | NIST |
| ΔfG° | -227.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -560.11 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -414.00 | kJ/mol | NIST |
| ΔfusH° | 40.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.11 | kJ/mol | Joback Calculated Property |
| log10WS | -2.09 | Crippen Calculated Property | |
| logPoct/wat | -0.630 | Crippen Calculated Property | |
| McVol | 137.090 | ml/mol | McGowan Calculated Property |
| Pc | 3862.67 | kPa | Joback Calculated Property |
| Inp | [1532.00; 1532.00] |
|
|
| Inp | 1532.00 | NIST | |
| Inp | 1532.00 | NIST | |
| Tboil | 813.26 | K | Joback Calculated Property |
| Tc | 1063.27 | K | Joback Calculated Property |
| Tfus | 617.36 | K | Joback Calculated Property |
| Vc | 0.553 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [392.92; 425.03] | J/mol×K | [813.26; 1063.27] |
|
| Cp,gas | 392.92 | J/mol×K | 813.26 | Joback Calculated Property |
| Cp,gas | 400.77 | J/mol×K | 854.93 | Joback Calculated Property |
| Cp,gas | 407.66 | J/mol×K | 896.60 | Joback Calculated Property |
| Cp,gas | 413.56 | J/mol×K | 938.26 | Joback Calculated Property |
| Cp,gas | 418.44 | J/mol×K | 979.93 | Joback Calculated Property |
| Cp,gas | 422.28 | J/mol×K | 1021.60 | Joback Calculated Property |
| Cp,gas | 425.03 | J/mol×K | 1063.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,4-Butanetriol, trinitrate.
Sources
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