- InChI
- InChI=1S/C12H25NO3/c1-3-4-5-6-7-8-9-10-11-12(2)16-13(14)15/h12H,3-11H2,1-2H3
- InChI Key
- TZINGABWMPNNOT-UHFFFAOYSA-N
- Formula
- C12H25NO3
- SMILES
- CCCCCCCCCCC(C)O[N+](=O)[O-]
- Molecular Weight1
- 231.34
- 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).
- 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 | 0.7701 | Relay (1.0) Calculated Property | |
| ΔfG° | -21.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -415.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.114 | Crippen Calculated Property | |
| McVol | 203.230 | ml/mol | McGowan Calculated Property |
| Pc | 1784.86 | kPa | Joback Calculated Property |
| Tboil | 517.91 | K | Relay (1.0) Calculated Property |
| Tc | 709.93 | K | Relay (1.0) Calculated Property |
| Tfus | 242.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.774 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [564.12; 650.32] | J/mol×K | [647.98; 837.36] | 
|
| Cp,gas | 564.12 | J/mol×K | 647.98 | Joback Calculated Property |
| Cp,gas | 580.43 | J/mol×K | 679.54 | Joback Calculated Property |
| Cp,gas | 595.95 | J/mol×K | 711.11 | Joback Calculated Property |
| Cp,gas | 610.67 | J/mol×K | 742.67 | Joback Calculated Property |
| Cp,gas | 624.63 | J/mol×K | 774.24 | Joback Calculated Property |
| Cp,gas | 637.84 | J/mol×K | 805.80 | Joback Calculated Property |
| Cp,gas | 650.32 | J/mol×K | 837.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Dodecyl nitrate.
Sources
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