- 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
- ω : Acentric Factor.
- 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).
- 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 | 0.5754 | Relay (1.0) Calculated Property | |
| PAff | 876.20 | kJ/mol | NIST |
| BasG | 845.30 | kJ/mol | NIST |
| ΔfG° | -180.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -306.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | 1.47 | Relay (1.0) 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 | 460.78 | K | Relay (1.0) Calculated Property |
| Tc | 665.23 | K | Relay (1.0) Calculated Property |
| Tfus | 349.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.281 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [98.06; 219.82] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.12000e+00 | |||
| Coefficient B | 4.18740e-01 | |||
| Coefficient C | -2.63700e-04 | |||
| Coefficient D | 6.26600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 98.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 120.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 139.43 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 156.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 171.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 184.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 195.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 204.76 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 212.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 219.82 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
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