- InChI
- InChI=1S/C18H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-18(20)15-16-19/h2-15,17H2,1H3
- InChI Key
- VDBOSQXQWUTRGS-UHFFFAOYSA-N
- Formula
- C18H33NO2
- SMILES
- CCCCCCCCCCCCCCCOC(=O)CC#N
- Molecular Weight1
- 295.46
- 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° | -0.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -494.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.30 | kJ/mol | Joback Calculated Property |
| log10WS | -6.09 | Crippen Calculated Property | |
| logPoct/wat | 5.534 | Crippen Calculated Property | |
| McVol | 273.300 | ml/mol | McGowan Calculated Property |
| Pc | 1168.82 | kPa | Joback Calculated Property |
| Inp | [2256.00; 2256.00] |
|
|
| Inp | 2256.00 | NIST | |
| Inp | 2256.00 | NIST | |
| Tboil | 789.61 | K | Joback Calculated Property |
| Tc | 974.43 | K | Joback Calculated Property |
| Tfus | 429.77 | K | Joback Calculated Property |
| Vc | 1.093 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [836.06; 922.33] | J/mol×K | [789.61; 974.43] |
|
| Cp,gas | 836.06 | J/mol×K | 789.61 | Joback Calculated Property |
| Cp,gas | 852.58 | J/mol×K | 820.41 | Joback Calculated Property |
| Cp,gas | 868.22 | J/mol×K | 851.22 | Joback Calculated Property |
| Cp,gas | 882.98 | J/mol×K | 882.02 | Joback Calculated Property |
| Cp,gas | 896.91 | J/mol×K | 912.83 | Joback Calculated Property |
| Cp,gas | 910.02 | J/mol×K | 943.63 | Joback Calculated Property |
| Cp,gas | 922.33 | J/mol×K | 974.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyanoacetic acid, pentadecyl ester.
Sources
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