- InChI
- InChI=1S/C12H25NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15/h2-12H2,1H3
- InChI Key
- PAWHIGFHUHHWLN-UHFFFAOYSA-N
- Formula
- C12H25NO3
- SMILES
- CCCCCCCCCCCCO[N+](=O)[O-]
- Molecular Weight1
- 231.33
- CAS
- 13277-59-3
- 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 | 0.8169 | Relay (1.0) Calculated Property | |
| ΔfG° | -19.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -401.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.116 | Crippen Calculated Property | |
| McVol | 203.230 | ml/mol | McGowan Calculated Property |
| Pc | 1772.85 | kPa | Joback Calculated Property |
| Inp | [1615.00; 1615.00] |
|
|
| Inp | 1615.00 | NIST | |
| Inp | 1615.00 | NIST | |
| Tboil | 533.38 | K | Relay (1.0) Calculated Property |
| Tc | 719.73 | K | Relay (1.0) Calculated Property |
| Tfus | 256.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.784 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [563.57; 648.46] | J/mol×K | [648.22; 834.47] |
|
| Cp,gas | 563.57 | J/mol×K | 648.22 | Joback Calculated Property |
| Cp,gas | 579.58 | J/mol×K | 679.26 | Joback Calculated Property |
| Cp,gas | 594.83 | J/mol×K | 710.30 | Joback Calculated Property |
| Cp,gas | 609.32 | J/mol×K | 741.34 | Joback Calculated Property |
| Cp,gas | 623.08 | J/mol×K | 772.39 | Joback Calculated Property |
| Cp,gas | 636.12 | J/mol×K | 803.43 | Joback Calculated Property |
| Cp,gas | 648.46 | J/mol×K | 834.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dodecyl nitrate.
Sources
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