- InChI
- InChI=1S/C3H8N2O2/c1-2-3-4-5(6)7/h4H,2-3H2,1H3
- InChI Key
- MCROFHCOHPROAE-UHFFFAOYSA-N
- Formula
- C3H8N2O2
- SMILES
- CCCN[N+](=O)[O-]
- Molecular Weight1
- 104.11
- CAS
- 627-07-6
- Other Names
-
- n-Propylnitramine
- 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 | -2216.00 | kJ/mol | NIST |
| ΔfG° | 99.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -62.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.30 | kJ/mol | Joback Calculated Property |
| log10WS | -1.34 | Crippen Calculated Property | |
| logPoct/wat | 0.178 | Crippen Calculated Property | |
| McVol | 80.530 | ml/mol | McGowan Calculated Property |
| Pc | 4559.21 | kPa | Joback Calculated Property |
| Tboil | 470.05 | K | Joback Calculated Property |
| Tc | 682.15 | K | Joback Calculated Property |
| Tfus | 319.84 | K | Joback Calculated Property |
| Vc | 0.321 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [169.55; 214.65] | J/mol×K | [470.05; 682.15] | 
|
| Cp,gas | 169.55 | J/mol×K | 470.05 | Joback Calculated Property |
| Cp,gas | 178.17 | J/mol×K | 505.40 | Joback Calculated Property |
| Cp,gas | 186.32 | J/mol×K | 540.75 | Joback Calculated Property |
| Cp,gas | 194.03 | J/mol×K | 576.10 | Joback Calculated Property |
| Cp,gas | 201.32 | J/mol×K | 611.45 | Joback Calculated Property |
| Cp,gas | 208.18 | J/mol×K | 646.80 | Joback Calculated Property |
| Cp,gas | 214.65 | J/mol×K | 682.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanamine, N-nitro-.
Sources
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