- InChI
- InChI=1S/C14H25NO2/c1-2-3-4-5-6-7-8-9-10-13-17-14(16)11-12-15/h2-11,13H2,1H3
- InChI Key
- MOHSIYYBSXQRJW-UHFFFAOYSA-N
- Formula
- C14H25NO2
- SMILES
- CCCCCCCCCCCOC(=O)CC#N
- Molecular Weight1
- 239.35
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8315 | Relay (1.0) Calculated Property | |
| ΔfG° | -33.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -481.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.974 | Crippen Calculated Property | |
| McVol | 216.940 | ml/mol | McGowan Calculated Property |
| Pc | 1548.78 | kPa | Joback Calculated Property |
| Inp | [1847.00; 1847.00] |
|
|
| Inp | 1847.00 | NIST | |
| Inp | 1847.00 | NIST | |
| Tboil | 589.84 | K | Relay (1.0) Calculated Property |
| Tc | 774.86 | K | Relay (1.0) Calculated Property |
| Tfus | 331.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.828 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [609.73; 687.68] | J/mol×K | [698.09; 880.94] |
|
| Cp,gas | 609.73 | J/mol×K | 698.09 | Joback Calculated Property |
| Cp,gas | 624.49 | J/mol×K | 728.56 | Joback Calculated Property |
| Cp,gas | 638.52 | J/mol×K | 759.04 | Joback Calculated Property |
| Cp,gas | 651.84 | J/mol×K | 789.51 | Joback Calculated Property |
| Cp,gas | 664.47 | J/mol×K | 819.99 | Joback Calculated Property |
| Cp,gas | 676.41 | J/mol×K | 850.46 | Joback Calculated Property |
| Cp,gas | 687.68 | J/mol×K | 880.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyanoacetic acid, undecyl ester.
Sources
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