- 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
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7925 | Relay (1.0) Calculated Property | |
| ΔfG° | 94.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -369.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.92 | Relay (1.0) 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 | 559.34 | K | Relay (1.0) Calculated Property |
| Tc | 767.71 | K | Relay (1.0) Calculated Property |
| Tfus | 281.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.814 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [308.43; 736.24] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.43800e+00 | |||
| Coefficient B | 1.33818e+00 | |||
| Coefficient C | -7.61800e-04 | |||
| Coefficient D | 1.63300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 308.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 381.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 447.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 506.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 558.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 603.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 644.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 679.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 709.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 736.24 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Nitrotridecane.
Sources
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