- InChI
- InChI=1S/C5H7NO2/c1-8-5(7)3-2-4-6/h2-3H2,1H3
- InChI Key
- BPSKURPOKFSLHJ-UHFFFAOYSA-N
- Formula
- C5H7NO2
- SMILES
- COC(=O)CCC#N
- Molecular Weight1
- 113.11
- CAS
- 4107-62-4
- Other Names
-
- Propionic acid, 3-cyano-, methyl ester
- Methyl «beta»-cyanopropionate
- Methyl 3-cyanopropionate
- 3-Cyanopropionic acid, methyl ester
- Methyl cyanopropanoate
- Methyl 3-cyanopropanoate
- 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 |
|---|---|---|---|
| ΔfG° | -109.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -226.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.36 | kJ/mol | Joback Calculated Property |
| log10WS | -0.64 | Crippen Calculated Property | |
| logPoct/wat | 0.463 | Crippen Calculated Property | |
| McVol | 90.130 | ml/mol | McGowan Calculated Property |
| Pc | 3555.77 | kPa | Joback Calculated Property |
| Tboil | 492.17 | K | Joback Calculated Property |
| Tc | 692.81 | K | Joback Calculated Property |
| Tfus | 283.26 | K | Joback Calculated Property |
| Vc | 0.365 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [183.09; 222.32] | J/mol×K | [492.17; 692.81] | 
|
| Cp,gas | 183.09 | J/mol×K | 492.17 | Joback Calculated Property |
| Cp,gas | 190.32 | J/mol×K | 525.61 | Joback Calculated Property |
| Cp,gas | 197.29 | J/mol×K | 559.05 | Joback Calculated Property |
| Cp,gas | 203.97 | J/mol×K | 592.49 | Joback Calculated Property |
| Cp,gas | 210.38 | J/mol×K | 625.93 | Joback Calculated Property |
| Cp,gas | 216.49 | J/mol×K | 659.37 | Joback Calculated Property |
| Cp,gas | 222.32 | J/mol×K | 692.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-cyano-, methyl ester.
Sources
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