- InChI
- InChI=1S/C6H13NO3/c1-3-4-6(2)5-10-7(8)9/h6H,3-5H2,1-2H3
- InChI Key
- CETUNBADQVCCRS-UHFFFAOYSA-N
- Formula
- C6H13NO3
- SMILES
- CCCC(C)CO[N+](=O)[O-]
- Molecular Weight1
- 147.17
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -72.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -315.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.56 | kJ/mol | Joback Calculated Property |
| log10WS | -2.25 | Crippen Calculated Property | |
| logPoct/wat | 1.631 | Crippen Calculated Property | |
| McVol | 118.690 | ml/mol | McGowan Calculated Property |
| Pc | 3117.52 | kPa | Joback Calculated Property |
| Inp | 956.00 | NIST | |
| Tboil | 510.50 | K | Joback Calculated Property |
| Tc | 715.03 | K | Joback Calculated Property |
| Tfus | 308.22 | K | Joback Calculated Property |
| Vc | 0.466 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.25; 336.48] | J/mol×K | [510.50; 715.03] | 
|
| Cp,gas | 273.25 | J/mol×K | 510.50 | Joback Calculated Property |
| Cp,gas | 285.12 | J/mol×K | 544.59 | Joback Calculated Property |
| Cp,gas | 296.45 | J/mol×K | 578.68 | Joback Calculated Property |
| Cp,gas | 307.25 | J/mol×K | 612.76 | Joback Calculated Property |
| Cp,gas | 317.51 | J/mol×K | 646.85 | Joback Calculated Property |
| Cp,gas | 327.26 | J/mol×K | 680.94 | Joback Calculated Property |
| Cp,gas | 336.48 | J/mol×K | 715.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-1-pentyl nitrate.
Sources
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