- InChI
- InChI=1S/C16H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h15-16H,2-14H2,1H3/b16-15+
- InChI Key
- RONABZRHJOUJTH-FOCLMDBBSA-N
- Formula
- C16H31NO2
- SMILES
- CCCCCCCCCCCCCCC=C[N+](=O)[O-]
- Molecular Weight1
- 269.42
- 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° | 199.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -267.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.76 | kJ/mol | Joback Calculated Property |
| log10WS | -6.95 | Crippen Calculated Property | |
| logPoct/wat | 5.868 | Crippen Calculated Property | |
| McVol | 249.420 | ml/mol | McGowan Calculated Property |
| Pc | 1381.96 | kPa | Joback Calculated Property |
| Inp | [2092.00; 2092.00] |
|
|
| Inp | 2092.00 | NIST | |
| Inp | 2092.00 | NIST | |
| Tboil | 721.48 | K | Joback Calculated Property |
| Tc | 909.43 | K | Joback Calculated Property |
| Tfus | 408.61 | K | Joback Calculated Property |
| Vc | 0.994 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [732.60; 825.00] | J/mol×K | [721.48; 909.43] |
|
| Cp,gas | 732.60 | J/mol×K | 721.48 | Joback Calculated Property |
| Cp,gas | 750.06 | J/mol×K | 752.80 | Joback Calculated Property |
| Cp,gas | 766.65 | J/mol×K | 784.13 | Joback Calculated Property |
| Cp,gas | 782.38 | J/mol×K | 815.45 | Joback Calculated Property |
| Cp,gas | 797.32 | J/mol×K | 846.78 | Joback Calculated Property |
| Cp,gas | 811.51 | J/mol×K | 878.10 | Joback Calculated Property |
| Cp,gas | 825.00 | J/mol×K | 909.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Nitrohexadec-1-ene.
Sources
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