- InChI
- InChI=1S/C6H13NO3/c1-5(2)4-6(3)10-7(8)9/h5-6H,4H2,1-3H3
- InChI Key
- AYWPQHSAUPNICG-UHFFFAOYSA-N
- Formula
- C6H13NO3
- SMILES
- CC(C)CC(C)O[N+](=O)[O-]
- Molecular Weight1
- 147.17
- 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 | 0.4913 | Relay (1.0) Calculated Property | |
| ΔfG° | -74.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -274.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.629 | Crippen Calculated Property | |
| McVol | 118.690 | ml/mol | McGowan Calculated Property |
| Pc | 3145.56 | kPa | Joback Calculated Property |
| Inp | 903.00 | NIST | |
| Tboil | 421.59 | K | Relay (1.0) Calculated Property |
| Tc | 601.46 | K | Relay (1.0) Calculated Property |
| Tfus | 196.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.425 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.53; 338.30] | J/mol×K | [510.06; 719.18] | 
|
| Cp,gas | 273.53 | J/mol×K | 510.06 | Joback Calculated Property |
| Cp,gas | 285.74 | J/mol×K | 544.91 | Joback Calculated Property |
| Cp,gas | 297.38 | J/mol×K | 579.77 | Joback Calculated Property |
| Cp,gas | 308.45 | J/mol×K | 614.62 | Joback Calculated Property |
| Cp,gas | 318.96 | J/mol×K | 649.47 | Joback Calculated Property |
| Cp,gas | 328.91 | J/mol×K | 684.33 | Joback Calculated Property |
| Cp,gas | 338.30 | J/mol×K | 719.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-4-pentyl nitrate.
Sources
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