- InChI
- InChI=1S/C6H13NO3/c1-5(6(2,3)4)10-7(8)9/h5H,1-4H3
- InChI Key
- YUZOHIKIQPTSGJ-UHFFFAOYSA-N
- Formula
- C6H13NO3
- SMILES
- CC(O[N+](=O)[O-])C(C)(C)C
- 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 | 0.4534 | Relay (1.0) Calculated Property | |
| ΔfG° | -69.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -275.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.629 | Crippen Calculated Property | |
| McVol | 118.690 | ml/mol | McGowan Calculated Property |
| Pc | 3184.73 | kPa | Joback Calculated Property |
| Inp | [873.00; 873.00] |
|
|
| Inp | 873.00 | NIST | |
| Inp | 873.00 | NIST | |
| Tboil | 421.18 | K | Relay (1.0) Calculated Property |
| Tc | 603.05 | K | Relay (1.0) Calculated Property |
| Tfus | 270.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.412 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [276.63; 342.99] | J/mol×K | [507.27; 725.19] |
|
| Cp,gas | 276.63 | J/mol×K | 507.27 | Joback Calculated Property |
| Cp,gas | 289.50 | J/mol×K | 543.59 | Joback Calculated Property |
| Cp,gas | 301.60 | J/mol×K | 579.91 | Joback Calculated Property |
| Cp,gas | 312.97 | J/mol×K | 616.23 | Joback Calculated Property |
| Cp,gas | 323.64 | J/mol×K | 652.55 | Joback Calculated Property |
| Cp,gas | 333.64 | J/mol×K | 688.87 | Joback Calculated Property |
| Cp,gas | 342.99 | J/mol×K | 725.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dimethyl-3-butyl nitrate.
Sources
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