- InChI
- InChI=1S/C3H7NO2/c1-3(2)6-4-5/h3H,1-2H3
- InChI Key
- SKRDXYBATCVEMS-UHFFFAOYSA-N
- Formula
- C3H7NO2
- SMILES
- CC(C)ON=O
- Molecular Weight1
- 89.09
- CAS
- 541-42-4
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 845.50 | kJ/mol | NIST |
| BasG | 813.00 | kJ/mol | NIST |
| ΔcH°liquid | -2017.00 ± 0.80 | kJ/mol | NIST |
| ΔfH°gas | -133.00 ± 4.20 | kJ/mol | NIST |
| ΔfH°liquid | -164.00 | kJ/mol | NIST |
| ΔvapH° | 31.00 | kJ/mol | NIST |
| IE | 10.23 ± 0.01 | eV | NIST |
| log10WS | -1.46 | Crippen Calculated Property | |
| logPoct/wat | 1.093 | Crippen Calculated Property | |
| McVol | 70.550 | ml/mol | McGowan Calculated Property |
| Pc | 4255.16 | kPa | Joback Calculated Property |
| Tboil | [313.10; 318.00] | K |
|
| Tboil | 318.00 | K | NIST |
| Tboil | 313.10 ± 0.30 | K | NIST |
| Tboil | 313.30 ± 0.50 | K | NIST |
| Tc | 526.38 | K | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 26.00 | kJ/mol | 260.50 | NIST |
Similar Compounds
Find more compounds similar to iso-Propyl nitrite.
Sources
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