- InChI
- InChI=1S/C13H27NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3
- InChI Key
- OVJFXQPAVMVKOV-UHFFFAOYSA-N
- Formula
- C13H27NO2
- SMILES
- CCCCCCCCCCCCC[N+](=O)[O-]
- Molecular Weight1
- 229.36
- 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° | 94.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.12 | kJ/mol | Joback Calculated Property |
| log10WS | -5.35 | Crippen Calculated Property | |
| logPoct/wat | 4.574 | Crippen Calculated Property | |
| McVol | 211.450 | ml/mol | McGowan Calculated Property |
| Pc | 1660.55 | kPa | Joback Calculated Property |
| Inp | 1762.00 | NIST | |
| Tboil | 648.68 | K | Joback Calculated Property |
| Tc | 834.16 | K | Joback Calculated Property |
| Tfus | 379.88 | K | Joback Calculated Property |
| Vc | 0.846 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [588.63; 677.53] | J/mol×K | [648.68; 834.16] | 
|
| Cp,gas | 588.63 | J/mol×K | 648.68 | Joback Calculated Property |
| Cp,gas | 605.40 | J/mol×K | 679.59 | Joback Calculated Property |
| Cp,gas | 621.35 | J/mol×K | 710.51 | Joback Calculated Property |
| Cp,gas | 636.51 | J/mol×K | 741.42 | Joback Calculated Property |
| Cp,gas | 650.90 | J/mol×K | 772.34 | Joback Calculated Property |
| Cp,gas | 664.57 | J/mol×K | 803.25 | Joback Calculated Property |
| Cp,gas | 677.53 | J/mol×K | 834.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nitrotridecane.
Sources
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