- InChI
- InChI=1S/C3H6N2O4/c6-4(7)2-1-3-5(8)9/h1-3H2
- InChI Key
- ITUGOFFBEXBDGZ-UHFFFAOYSA-N
- Formula
- C3H6N2O4
- SMILES
- O=[N+]([O-])CCC[N+](=O)[O-]
- Molecular Weight1
- 134.09
- CAS
- 6125-21-9
- 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).
- 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).
- 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 | [-1831.00; -1814.10] | kJ/mol |
|
| ΔcH°liquid | -1831.00 ± 0.80 | kJ/mol | NIST |
| ΔcH°liquid | -1814.10 ± 1.40 | kJ/mol | NIST |
| ΔfG° | 45.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -126.77 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | [-223.90; -207.00] | kJ/mol |
|
| ΔfH°liquid | -207.00 ± 0.80 | kJ/mol | NIST |
| ΔfH°liquid | -223.90 ± 1.40 | kJ/mol | NIST |
| ΔfusH° | 26.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.45 | kJ/mol | Joback Calculated Property |
| log10WS | -1.25 | Crippen Calculated Property | |
| logPoct/wat | -0.070 | Crippen Calculated Property | |
| McVol | 87.970 | ml/mol | McGowan Calculated Property |
| Pc | 4553.06 | kPa | Joback Calculated Property |
| Tboil | 571.72 | K | Joback Calculated Property |
| Tc | 814.08 | K | Joback Calculated Property |
| Tfus | 251.80 ± 0.10 | K | NIST |
| Vc | 0.367 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.03; 246.31] | J/mol×K | [571.72; 814.08] |
|
| Cp,gas | 205.03 | J/mol×K | 571.72 | Joback Calculated Property |
| Cp,gas | 213.28 | J/mol×K | 612.11 | Joback Calculated Property |
| Cp,gas | 220.95 | J/mol×K | 652.51 | Joback Calculated Property |
| Cp,gas | 228.06 | J/mol×K | 692.90 | Joback Calculated Property |
| Cp,gas | 234.64 | J/mol×K | 733.29 | Joback Calculated Property |
| Cp,gas | 240.71 | J/mol×K | 773.68 | Joback Calculated Property |
| Cp,gas | 246.31 | J/mol×K | 814.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dinitropropane.
Sources
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