- InChI
- InChI=1S/C2H5NO3/c4-2-1-3(5)6/h4H,1-2H2
- InChI Key
- KIPMDPDAFINLIV-UHFFFAOYSA-N
- Formula
- C2H5NO3
- SMILES
- O=[N+]([O-])CCO
- Molecular Weight1
- 91.07
- CAS
- 625-48-9
- Other Names
-
- «beta»-Nitroethanol
- 2-Nitroethanol
- «beta»-Nitroethyl alcohol
- Nitroethanol
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.6467 | Relay (... Calculated Property | |
| ΔcH°liquid | [-1210.00; -921.32] | kJ/mol |
|
| ΔcH°liquid | -1210.00 | kJ/mol | NIST |
| ΔcH°liquid | -1151.00 | kJ/mol | NIST |
| ΔcH°liquid | -921.32 | kJ/mol | NIST |
| ΔfG° | -135.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -262.95 | kJ/mol | Relay (... Calculated Property |
| ΔfH°liquid | -351.00 | kJ/mol | NIST |
| ΔfusH° | 16.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.25 | kJ/mol | Relay (... Calculated Property |
| IE | 10.96 | eV | Relay (... Calculated Property |
| log10WS | 0.37 | Relay (... Calculated Property | |
| logPoct/wat | -0.745 | Crippen Calculated Property | |
| McVol | 62.330 | ml/mol | McGowan Calculated Property |
| Pc | 5862.92 | kPa | Joback Calculated Property |
| Inp | [658.00; 658.00] |
|
|
| Inp | 658.00 | NIST | |
| Inp | 658.00 | NIST | |
| I | [2045.00; 2045.00] |
|
|
| I | 2045.00 | NIST | |
| I | 2045.00 | NIST | |
| Tboil | 476.56 | K | Relay (... Calculated Property |
| Tc | 702.56 | K | Relay (... Calculated Property |
| Tfus | 239.76 | K | Relay (... Calculated Property |
| Vc | 0.226 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [130.46; 159.07] | J/mol×K | [489.18; 689.04] |
|
| Cp,gas | 130.46 | J/mol×K | 489.18 | Joback Calculated Property |
| Cp,gas | 135.90 | J/mol×K | 522.49 | Joback Calculated Property |
| Cp,gas | 141.07 | J/mol×K | 555.80 | Joback Calculated Property |
| Cp,gas | 145.95 | J/mol×K | 589.11 | Joback Calculated Property |
| Cp,gas | 150.58 | J/mol×K | 622.42 | Joback Calculated Property |
| Cp,gas | 154.95 | J/mol×K | 655.73 | Joback Calculated Property |
| Cp,gas | 159.07 | J/mol×K | 689.04 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 467.20 | K | 102.00 | NIST |
Similar Compounds
Find more compounds similar to Ethanol, 2-nitro-.
Sources
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