- InChI
- InChI=1S/C21H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-21(23)18-19-22/h2-18,20H2,1H3
- InChI Key
- NNBNVJGHIBGDAW-UHFFFAOYSA-N
- Formula
- C21H39NO2
- SMILES
- CCCCCCCCCCCCCCCCCCOC(=O)CC#N
- Molecular Weight1
- 337.54
- 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 | 1.0781 | Relay (1.0) Calculated Property | |
| ΔfG° | 25.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -632.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.705 | Crippen Calculated Property | |
| McVol | 315.570 | ml/mol | McGowan Calculated Property |
| Pc | 968.68 | kPa | Joback Calculated Property |
| Inp | [2565.00; 2565.00] |
|
|
| Inp | 2565.00 | NIST | |
| Inp | 2565.00 | NIST | |
| Tboil | 641.41 | K | Relay (1.0) Calculated Property |
| Tc | 840.17 | K | Relay (1.0) Calculated Property |
| Tfus | 355.07 | K | Relay (1.0) Calculated Property |
| Vc | 1.218 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1015.89; 1107.81] | J/mol×K | [858.25; 1051.47] |
|
| Cp,gas | 1015.89 | J/mol×K | 858.25 | Joback Calculated Property |
| Cp,gas | 1033.73 | J/mol×K | 890.45 | Joback Calculated Property |
| Cp,gas | 1050.52 | J/mol×K | 922.66 | Joback Calculated Property |
| Cp,gas | 1066.29 | J/mol×K | 954.86 | Joback Calculated Property |
| Cp,gas | 1081.07 | J/mol×K | 987.06 | Joback Calculated Property |
| Cp,gas | 1094.90 | J/mol×K | 1019.26 | Joback Calculated Property |
| Cp,gas | 1107.81 | J/mol×K | 1051.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyanoacetic acid, octadecyl ester.
Sources
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