- InChI
- InChI=1S/C5H7NO/c1-2-3-5(7)4-6/h2,5,7H,1,3H2
- InChI Key
- YFJKKUYODGCDDF-UHFFFAOYSA-N
- Formula
- C5H7NO
- SMILES
- C=CCC(O)C#N
- Molecular Weight1
- 97.12
- 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).
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | 72.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -13.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.82 | kJ/mol | Joback Calculated Property |
| log10WS | -1.01 | Crippen Calculated Property | |
| logPoct/wat | 0.447 | Crippen Calculated Property | |
| McVol | 84.260 | ml/mol | McGowan Calculated Property |
| Pc | 4000.70 | kPa | Joback Calculated Property |
| I | [1345.00; 1345.00] |
|
|
| I | 1345.00 | NIST | |
| I | 1345.00 | NIST | |
| Tboil | 504.30 | K | Joback Calculated Property |
| Tc | 693.46 | K | Joback Calculated Property |
| Tfus | 255.16 | K | Joback Calculated Property |
| Vc | 0.336 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [173.78; 207.87] | J/mol×K | [504.30; 693.46] |
|
| Cp,gas | 173.78 | J/mol×K | 504.30 | Joback Calculated Property |
| Cp,gas | 180.23 | J/mol×K | 535.83 | Joback Calculated Property |
| Cp,gas | 186.35 | J/mol×K | 567.35 | Joback Calculated Property |
| Cp,gas | 192.17 | J/mol×K | 598.88 | Joback Calculated Property |
| Cp,gas | 197.68 | J/mol×K | 630.40 | Joback Calculated Property |
| Cp,gas | 202.91 | J/mol×K | 661.93 | Joback Calculated Property |
| Cp,gas | 207.87 | J/mol×K | 693.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-hydroxy-4-pentenenitrile.
Sources
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