- InChI
- InChI=1S/C5H9N3O9/c9-6(10)15-3-1-2-5(17-8(13)14)4-16-7(11)12/h5H,1-4H2
- InChI Key
- NOTDFOCRTLYINY-UHFFFAOYSA-N
- Formula
- C5H9N3O9
- SMILES
-
O=[N+]([O-])OCCCC(CO[N+](=O)[O
-])O[N+](=O)[O-] - Molecular Weight1
- 255.14
- CAS
- 98071-55-7
- 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).
- 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 | -2814.00 | kJ/mol | NIST |
| ΔfG° | -219.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -580.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.34 | kJ/mol | Joback Calculated Property |
| log10WS | -2.51 | Crippen Calculated Property | |
| logPoct/wat | -0.240 | Crippen Calculated Property | |
| McVol | 151.180 | ml/mol | McGowan Calculated Property |
| Pc | 3439.94 | kPa | Joback Calculated Property |
| Tboil | 836.14 | K | Joback Calculated Property |
| Tc | 1081.51 | K | Joback Calculated Property |
| Tfus | 628.63 | K | Joback Calculated Property |
| Vc | 0.610 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [444.79; 479.15] | J/mol×K | [836.14; 1081.51] | 
|
| Cp,gas | 444.79 | J/mol×K | 836.14 | Joback Calculated Property |
| Cp,gas | 453.14 | J/mol×K | 877.03 | Joback Calculated Property |
| Cp,gas | 460.47 | J/mol×K | 917.93 | Joback Calculated Property |
| Cp,gas | 466.76 | J/mol×K | 958.82 | Joback Calculated Property |
| Cp,gas | 471.98 | J/mol×K | 999.72 | Joback Calculated Property |
| Cp,gas | 476.12 | J/mol×K | 1040.61 | Joback Calculated Property |
| Cp,gas | 479.15 | J/mol×K | 1081.51 | Joback Calculated Property |
| ΔvapH | 41.70 ± 2.10 | kJ/mol | 303.00 | NIST |
Similar Compounds
Find more compounds similar to 1,2,5-Pentanetriol trinitrate.
Sources
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