- InChI
- InChI=1S/C5H12N2O2/c1-5(2)4-6(3)7(8)9/h5H,4H2,1-3H3
- InChI Key
- VHQJQNRZBRJXCE-UHFFFAOYSA-N
- Formula
- C5H12N2O2
- SMILES
- CC(C)CN(C)[N+](=O)[O-]
- Molecular Weight1
- 132.16
- CAS
- 53951-45-4
- 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 |
|---|---|---|---|
| ΔfG° | 135.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -95.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.97 | kJ/mol | Joback Calculated Property |
| log10WS | -1.32 | Crippen Calculated Property | |
| logPoct/wat | 0.766 | Crippen Calculated Property | |
| McVol | 108.710 | ml/mol | McGowan Calculated Property |
| Pc | 3543.08 | kPa | Joback Calculated Property |
| Tboil | 477.64 | K | Joback Calculated Property |
| Tc | 684.04 | K | Joback Calculated Property |
| Tfus | 295.65 ± 1.00 | K | NIST |
| Vc | 0.409 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [240.15; 302.38] | J/mol×K | [477.64; 684.04] | 
|
| Cp,gas | 240.15 | J/mol×K | 477.64 | Joback Calculated Property |
| Cp,gas | 252.10 | J/mol×K | 512.04 | Joback Calculated Property |
| Cp,gas | 263.38 | J/mol×K | 546.44 | Joback Calculated Property |
| Cp,gas | 274.03 | J/mol×K | 580.84 | Joback Calculated Property |
| Cp,gas | 284.06 | J/mol×K | 615.24 | Joback Calculated Property |
| Cp,gas | 293.50 | J/mol×K | 649.64 | Joback Calculated Property |
| Cp,gas | 302.38 | J/mol×K | 684.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanamine, N,2-dimethyl-N-nitro-.
Sources
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