- InChI
- InChI=1S/C5H11NO2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3
- InChI Key
- JOIWPCUDRRYOQH-UHFFFAOYSA-N
- Formula
- C5H11NO2
- SMILES
- CCCC(C)[N+](=O)[O-]
- Molecular Weight1
- 117.15
- CAS
- 4609-89-6
- 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 | 0.3947 | Relay (1.0) Calculated Property | |
| ΔfG° | 24.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -178.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.452 | Crippen Calculated Property | |
| McVol | 98.730 | ml/mol | McGowan Calculated Property |
| Pc | 3551.53 | kPa | Joback Calculated Property |
| Tboil | 429.32 | K | Relay (1.0) Calculated Property |
| Tc | 621.63 | K | Relay (1.0) Calculated Property |
| Tfus | 226.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.349 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [209.31; 266.81] | J/mol×K | [465.20; 674.41] | 
|
| Cp,gas | 209.31 | J/mol×K | 465.20 | Joback Calculated Property |
| Cp,gas | 220.22 | J/mol×K | 500.07 | Joback Calculated Property |
| Cp,gas | 230.58 | J/mol×K | 534.94 | Joback Calculated Property |
| Cp,gas | 240.40 | J/mol×K | 569.81 | Joback Calculated Property |
| Cp,gas | 249.70 | J/mol×K | 604.68 | Joback Calculated Property |
| Cp,gas | 258.50 | J/mol×K | 639.54 | Joback Calculated Property |
| Cp,gas | 266.81 | J/mol×K | 674.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentane, 2-nitro-.
Sources
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