- InChI
- InChI=1S/C5H5NO2/c1-8-5(7)3-2-4-6/h2-3H,1H3/b3-2-
- InChI Key
- AJXIQWIGXITQSV-IHWYPQMZSA-N
- Formula
- C5H5NO2
- SMILES
- COC(=O)C=CC#N
- Molecular Weight1
- 111.10
- CAS
- 925-55-3
- 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° | -29.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -109.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.32 | kJ/mol | Joback Calculated Property |
| log10WS | -0.50 | Crippen Calculated Property | |
| logPoct/wat | 0.239 | Crippen Calculated Property | |
| McVol | 85.830 | ml/mol | McGowan Calculated Property |
| Pc | 3786.98 | kPa | Joback Calculated Property |
| Tboil | 496.33 | K | Joback Calculated Property |
| Tc | 706.59 | K | Joback Calculated Property |
| Tfus | 278.18 | K | Joback Calculated Property |
| Vc | 0.345 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [164.90; 199.46] | J/mol×K | [496.33; 706.59] | 
|
| Cp,gas | 164.90 | J/mol×K | 496.33 | Joback Calculated Property |
| Cp,gas | 171.44 | J/mol×K | 531.37 | Joback Calculated Property |
| Cp,gas | 177.66 | J/mol×K | 566.42 | Joback Calculated Property |
| Cp,gas | 183.57 | J/mol×K | 601.46 | Joback Calculated Property |
| Cp,gas | 189.16 | J/mol×K | 636.51 | Joback Calculated Property |
| Cp,gas | 194.46 | J/mol×K | 671.55 | Joback Calculated Property |
| Cp,gas | 199.46 | J/mol×K | 706.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenoic acid, 3-cyano-, methyl ester, (Z)-.
Sources
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