- InChI
- InChI=1S/C11H19NO2/c1-2-3-4-5-6-7-10-14-11(13)8-9-12/h2-8,10H2,1H3
- InChI Key
- MBCTWXWDQMXVDF-UHFFFAOYSA-N
- Formula
- C11H19NO2
- SMILES
- CCCCCCCCOC(=O)CC#N
- Molecular Weight1
- 197.27
- 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).
- Inp : Non-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° | -59.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -350.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.71 | kJ/mol | Joback Calculated Property |
| log10WS | -3.16 | Crippen Calculated Property | |
| logPoct/wat | 2.804 | Crippen Calculated Property | |
| McVol | 174.670 | ml/mol | McGowan Calculated Property |
| Pc | 1970.05 | kPa | Joback Calculated Property |
| Inp | 1547.00 | NIST | |
| Tboil | 629.45 | K | Joback Calculated Property |
| Tc | 815.85 | K | Joback Calculated Property |
| Tfus | 350.88 | K | Joback Calculated Property |
| Vc | 0.702 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [452.85; 522.25] | J/mol×K | [629.45; 815.85] | 
|
| Cp,gas | 452.85 | J/mol×K | 629.45 | Joback Calculated Property |
| Cp,gas | 465.91 | J/mol×K | 660.52 | Joback Calculated Property |
| Cp,gas | 478.36 | J/mol×K | 691.58 | Joback Calculated Property |
| Cp,gas | 490.21 | J/mol×K | 722.65 | Joback Calculated Property |
| Cp,gas | 501.47 | J/mol×K | 753.72 | Joback Calculated Property |
| Cp,gas | 512.14 | J/mol×K | 784.79 | Joback Calculated Property |
| Cp,gas | 522.25 | J/mol×K | 815.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyanoacetic acid, octyl ester.
Sources
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