- InChI
- InChI=1S/C3H6N2O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3
- InChI Key
- DFHLCCWFLMSKJI-UHFFFAOYSA-N
- Formula
- C3H6N2O4
- SMILES
- CCC([N+](=O)[O-])[N+](=O)[O-]
- Molecular Weight1
- 134.09
- CAS
- 601-76-3
- 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).
- 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 | [-1875.00; -1867.40] | kJ/mol |
|
| ΔcH°liquid | -1875.00 ± 1.00 | kJ/mol | NIST |
| ΔcH°liquid | -1867.40 ± 1.40 | kJ/mol | NIST |
| ΔfG° | 43.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -132.05 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | [-170.60; -163.00] | kJ/mol |
|
| ΔfH°liquid | -163.00 ± 1.00 | kJ/mol | NIST |
| ΔfH°liquid | -170.60 ± 1.40 | kJ/mol | NIST |
| ΔfusH° | 22.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.47 ± 0.63 | kJ/mol | NIST |
| log10WS | -1.85 | Crippen Calculated Property | |
| logPoct/wat | 0.276 | Crippen Calculated Property | |
| McVol | 87.970 | ml/mol | McGowan Calculated Property |
| Pc | 4602.62 | kPa | Joback Calculated Property |
| Tboil | 571.28 | K | Joback Calculated Property |
| Tc | 819.28 | K | Joback Calculated Property |
| Tfus | 395.79 | K | Joback Calculated Property |
| Vc | 0.361 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.50; 247.74] | J/mol×K | [571.28; 819.28] |
|
| Cp,gas | 205.50 | J/mol×K | 571.28 | Joback Calculated Property |
| Cp,gas | 214.01 | J/mol×K | 612.61 | Joback Calculated Property |
| Cp,gas | 221.89 | J/mol×K | 653.95 | Joback Calculated Property |
| Cp,gas | 229.18 | J/mol×K | 695.28 | Joback Calculated Property |
| Cp,gas | 235.90 | J/mol×K | 736.61 | Joback Calculated Property |
| Cp,gas | 242.08 | J/mol×K | 777.94 | Joback Calculated Property |
| Cp,gas | 247.74 | J/mol×K | 819.28 | Joback Calculated Property |
| ΔvapH | 57.90 | kJ/mol | 353.00 | NIST |
Similar Compounds
Find more compounds similar to 1,1-Dinitropropane.
Sources
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