- InChI
- InChI=1S/C4H7N3O9/c1-3(15-6(10)11)4(16-7(12)13)2-14-5(8)9/h3-4H,2H2,1H3
- InChI Key
- GIFRMMSPDQZIHL-UHFFFAOYSA-N
- Formula
- C4H7N3O9
- SMILES
-
CC(O[N+](=O)[O-])C(CO[N+](=O)[
O-])O[N+](=O)[O-] - Molecular Weight1
- 241.11
- CAS
- 84002-64-2
- Other Names
-
- 1,2,3-Butanetriol, trinitrate
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -2175.70 | kJ/mol | NIST |
| ΔfG° | -230.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -565.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.72 | kJ/mol | Joback Calculated Property |
| log10WS | -2.21 | Crippen Calculated Property | |
| logPoct/wat | -0.632 | Crippen Calculated Property | |
| McVol | 137.090 | ml/mol | McGowan Calculated Property |
| Pc | 3901.37 | kPa | Joback Calculated Property |
| Tboil | 812.82 | K | Joback Calculated Property |
| Tc | 1067.41 | K | Joback Calculated Property |
| Tfus | 602.36 | K | Joback Calculated Property |
| Vc | 0.547 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.57; 425.63] | J/mol×K | [812.82; 1067.41] | 
|
| Cp,gas | 393.57 | J/mol×K | 812.82 | Joback Calculated Property |
| Cp,gas | 401.55 | J/mol×K | 855.25 | Joback Calculated Property |
| Cp,gas | 408.52 | J/mol×K | 897.68 | Joback Calculated Property |
| Cp,gas | 414.44 | J/mol×K | 940.12 | Joback Calculated Property |
| Cp,gas | 419.29 | J/mol×K | 982.55 | Joback Calculated Property |
| Cp,gas | 423.03 | J/mol×K | 1024.98 | Joback Calculated Property |
| Cp,gas | 425.63 | J/mol×K | 1067.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to butane-1,2,3-triyl trinitrate.
Sources
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