- InChI
- InChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h12-13H,2-11H2,1H3/b13-12+
- InChI Key
- FQVYCQNAJYLLDY-OUKQBFOZSA-N
- Formula
- C13H25NO2
- SMILES
- CCCCCCCCCCCC=C[N+](=O)[O-]
- Molecular Weight1
- 227.34
- 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).
- Inp : Non-polar retention indices.
- 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° | 174.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -205.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.08 | kJ/mol | Joback Calculated Property |
| log10WS | -5.70 | Crippen Calculated Property | |
| logPoct/wat | 4.698 | Crippen Calculated Property | |
| McVol | 207.150 | ml/mol | McGowan Calculated Property |
| Pc | 1733.22 | kPa | Joback Calculated Property |
| Inp | 1808.00 | NIST | |
| Tboil | 652.84 | K | Joback Calculated Property |
| Tc | 844.83 | K | Joback Calculated Property |
| Tfus | 374.80 | K | Joback Calculated Property |
| Vc | 0.826 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [567.28; 653.32] | J/mol×K | [652.84; 844.83] | 
|
| Cp,gas | 567.28 | J/mol×K | 652.84 | Joback Calculated Property |
| Cp,gas | 583.60 | J/mol×K | 684.84 | Joback Calculated Property |
| Cp,gas | 599.07 | J/mol×K | 716.84 | Joback Calculated Property |
| Cp,gas | 613.73 | J/mol×K | 748.83 | Joback Calculated Property |
| Cp,gas | 627.64 | J/mol×K | 780.83 | Joback Calculated Property |
| Cp,gas | 640.82 | J/mol×K | 812.83 | Joback Calculated Property |
| Cp,gas | 653.32 | J/mol×K | 844.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Nitrotridec-1-ene.
Sources
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