- InChI
- InChI=1S/C9H19NO3/c1-3-4-5-6-7-8-9(2)13-10(11)12/h9H,3-8H2,1-2H3
- InChI Key
- IANHDIXJVFFJKK-UHFFFAOYSA-N
- Formula
- C9H19NO3
- SMILES
- CCCCCCCC(C)O[N+](=O)[O-]
- Molecular Weight1
- 189.25
- 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 | 0.6563 | Relay (1.0) Calculated Property | |
| ΔfG° | -46.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -344.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.944 | Crippen Calculated Property | |
| McVol | 160.960 | ml/mol | McGowan Calculated Property |
| Pc | 2313.61 | kPa | Joback Calculated Property |
| Inp | [1251.00; 1251.00] |
|
|
| Inp | 1251.00 | NIST | |
| Inp | 1251.00 | NIST | |
| Tboil | 478.32 | K | Relay (1.0) Calculated Property |
| Tc | 668.67 | K | Relay (1.0) Calculated Property |
| Tfus | 219.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.608 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.67; 548.92] | 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 | 2.40160e+01 | |||
| Coefficient B | 9.00900e-01 | |||
| Coefficient C | -4.36400e-04 | |||
| Coefficient D | 6.04000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 238.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 290.79 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 338.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 380.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 418.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 452.61 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 482.35 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 508.19 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 530.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 548.92 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Nonyl nitrate.
Sources
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