- InChI
- InChI=1S/C8H17NO2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3
- InChI Key
- KLGHUFNKRIWCDQ-UHFFFAOYSA-N
- Formula
- C8H17NO2
- SMILES
- CCCCCCCC[N+](=O)[O-]
- Molecular Weight1
- 159.23
- 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° | 52.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -219.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.99 | kJ/mol | Joback Calculated Property |
| log10WS | -3.26 | Crippen Calculated Property | |
| logPoct/wat | 2.624 | Crippen Calculated Property | |
| McVol | 141.000 | ml/mol | McGowan Calculated Property |
| Pc | 2566.29 | kPa | Joback Calculated Property |
| Tboil | 534.28 | K | Joback Calculated Property |
| Tc | 730.58 | K | Joback Calculated Property |
| Tfus | 323.53 | K | Joback Calculated Property |
| Vc | 0.566 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [338.30; 410.78] | J/mol×K | [534.28; 730.58] | 
|
| Cp,gas | 338.30 | J/mol×K | 534.28 | Joback Calculated Property |
| Cp,gas | 351.98 | J/mol×K | 567.00 | Joback Calculated Property |
| Cp,gas | 365.00 | J/mol×K | 599.71 | Joback Calculated Property |
| Cp,gas | 377.36 | J/mol×K | 632.43 | Joback Calculated Property |
| Cp,gas | 389.10 | J/mol×K | 665.15 | Joback Calculated Property |
| Cp,gas | 400.23 | J/mol×K | 697.86 | Joback Calculated Property |
| Cp,gas | 410.78 | J/mol×K | 730.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Nitro octane.
Sources
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