- InChI
- InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-20(22)17-18-21/h2-17,19H2,1H3
- InChI Key
- DEGKIJNOTWCZBX-UHFFFAOYSA-N
- Formula
- C20H37NO2
- SMILES
- CCCCCCCCCCCCCCCCCOC(=O)CC#N
- Molecular Weight1
- 323.51
- 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° | 16.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -536.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.75 | kJ/mol | Joback Calculated Property |
| log10WS | -6.92 | Crippen Calculated Property | |
| logPoct/wat | 6.315 | Crippen Calculated Property | |
| McVol | 301.480 | ml/mol | McGowan Calculated Property |
| Pc | 1029.26 | kPa | Joback Calculated Property |
| Inp | [2463.00; 2463.00] |
|
|
| Inp | 2463.00 | NIST | |
| Inp | 2463.00 | NIST | |
| Tboil | 835.37 | K | Joback Calculated Property |
| Tc | 1025.02 | K | Joback Calculated Property |
| Tfus | 452.31 | K | Joback Calculated Property |
| Vc | 1.206 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [955.13; 1045.14] | J/mol×K | [835.37; 1025.02] |
|
| Cp,gas | 955.13 | J/mol×K | 835.37 | Joback Calculated Property |
| Cp,gas | 972.51 | J/mol×K | 866.98 | Joback Calculated Property |
| Cp,gas | 988.90 | J/mol×K | 898.59 | Joback Calculated Property |
| Cp,gas | 1004.33 | J/mol×K | 930.19 | Joback Calculated Property |
| Cp,gas | 1018.83 | J/mol×K | 961.80 | Joback Calculated Property |
| Cp,gas | 1032.42 | J/mol×K | 993.41 | Joback Calculated Property |
| Cp,gas | 1045.14 | J/mol×K | 1025.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyanoacetic acid, heptadecyl ester.
Sources
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