- InChI
- InChI=1S/C3H7NO2/c1-3(5)4(2)6/h6H,1-2H3
- InChI Key
- BJPJMTMWIVUMAK-UHFFFAOYSA-N
- Formula
- C3H7NO2
- SMILES
- CC(=O)N(C)O
- Molecular Weight1
- 89.09
- CAS
- 13115-24-7
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| PAff | 876.20 | kJ/mol | NIST |
| BasG | 845.30 | kJ/mol | NIST |
| ΔfG° | -180.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -302.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.74 | kJ/mol | Joback Calculated Property |
| log10WS | 0.92 | Crippen Calculated Property | |
| logPoct/wat | -0.146 | Crippen Calculated Property | |
| McVol | 70.550 | ml/mol | McGowan Calculated Property |
| Pc | 5462.66 | kPa | Joback Calculated Property |
| Tboil | 426.53 | K | Joback Calculated Property |
| Tc | 599.91 | K | Joback Calculated Property |
| Tfus | 266.79 | K | Joback Calculated Property |
| Vc | 0.246 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [137.61; 171.95] | J/mol×K | [426.53; 599.91] | 
|
| Cp,gas | 137.61 | J/mol×K | 426.53 | Joback Calculated Property |
| Cp,gas | 144.05 | J/mol×K | 455.43 | Joback Calculated Property |
| Cp,gas | 150.19 | J/mol×K | 484.32 | Joback Calculated Property |
| Cp,gas | 156.04 | J/mol×K | 513.22 | Joback Calculated Property |
| Cp,gas | 161.61 | J/mol×K | 542.12 | Joback Calculated Property |
| Cp,gas | 166.91 | J/mol×K | 571.02 | Joback Calculated Property |
| Cp,gas | 171.95 | J/mol×K | 599.91 | Joback Calculated Property |
Similar Compounds
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Sources
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