- InChI
- InChI=1S/C7H11NO2/c1-6(2)5-10-7(9)3-4-8/h6H,3,5H2,1-2H3
- InChI Key
- HRGQEKKNLHJZGZ-UHFFFAOYSA-N
- Formula
- C7H11NO2
- SMILES
- CC(C)COC(=O)CC#N
- Molecular Weight1
- 141.17
- CAS
- 13361-31-4
- 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° | -95.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -273.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.42 | kJ/mol | Joback Calculated Property |
| log10WS | -1.24 | Crippen Calculated Property | |
| logPoct/wat | 1.099 | Crippen Calculated Property | |
| McVol | 118.310 | ml/mol | McGowan Calculated Property |
| Pc | 2887.40 | kPa | Joback Calculated Property |
| Tboil | 537.49 | K | Joback Calculated Property |
| Tc | 736.93 | K | Joback Calculated Property |
| Tfus | 290.80 | K | Joback Calculated Property |
| Vc | 0.471 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.90; 318.92] | J/mol×K | [537.49; 736.93] | 
|
| Cp,gas | 265.90 | J/mol×K | 537.49 | Joback Calculated Property |
| Cp,gas | 275.82 | J/mol×K | 570.73 | Joback Calculated Property |
| Cp,gas | 285.31 | J/mol×K | 603.97 | Joback Calculated Property |
| Cp,gas | 294.37 | J/mol×K | 637.21 | Joback Calculated Property |
| Cp,gas | 302.99 | J/mol×K | 670.45 | Joback Calculated Property |
| Cp,gas | 311.17 | J/mol×K | 703.69 | Joback Calculated Property |
| Cp,gas | 318.92 | J/mol×K | 736.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to isobutyl cyanoacetate.
Sources
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