- InChI
- InChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1H3/b15-14+
- InChI Key
- VXUKZOXLZJQOHU-CCEZHUSRSA-N
- Formula
- C15H29NO2
- SMILES
- CCCCCCCCCCCCCC=C[N+](=O)[O-]
- Molecular Weight1
- 255.40
- 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 | 0.8203 | Relay (1.0) Calculated Property | |
| ΔfG° | 191.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -291.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.478 | Crippen Calculated Property | |
| McVol | 235.330 | ml/mol | McGowan Calculated Property |
| Pc | 1486.14 | kPa | Joback Calculated Property |
| Inp | 2019.00 | NIST | |
| Tboil | 567.34 | K | Relay (1.0) Calculated Property |
| Tc | 788.88 | K | Relay (1.0) Calculated Property |
| Tfus | 294.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.881 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [336.86; 808.84] | 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 | -1.94380e+01 | |||
| Coefficient B | 1.54818e+00 | |||
| Coefficient C | -9.54400e-04 | |||
| Coefficient D | 2.34500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 336.86 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 419.21 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 492.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 557.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 613.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 663.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 707.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 745.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 779.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 808.84 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to (E)-1-Nitropentadec-1-ene.
Sources
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