- InChI
- InChI=1S/C15H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3
- InChI Key
- GQUKFPOTLYZVDB-UHFFFAOYSA-N
- Formula
- C15H31NO2
- SMILES
- CCCCCCCCCCCCCCC[N+](=O)[O-]
- Molecular Weight1
- 257.41
- 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 | 0.8633 | Relay (1.0) Calculated Property | |
| ΔfG° | 110.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -414.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.354 | Crippen Calculated Property | |
| McVol | 239.630 | ml/mol | McGowan Calculated Property |
| Pc | 1428.30 | kPa | Joback Calculated Property |
| Inp | 1976.00 | NIST | |
| Tboil | 575.45 | K | Relay (1.0) Calculated Property |
| Tc | 787.57 | K | Relay (1.0) Calculated Property |
| Tfus | 293.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.924 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.86; 839.42] | 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 | -5.25600e+00 | |||
| Coefficient B | 1.52818e+00 | |||
| Coefficient C | -8.70600e-04 | |||
| Coefficient D | 1.87100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 350.86 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 434.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 509.77 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 576.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 635.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 688.29 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 734.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 774.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 809.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 839.42 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Nitropentadecane.
Sources
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