- InChI
- InChI=1S/C19H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-19(21)16-17-20/h2-16,18H2,1H3
- InChI Key
- VYKJKXWAMIAGRC-UHFFFAOYSA-N
- Formula
- C19H35NO2
- SMILES
- CCCCCCCCCCCCCCCCOC(=O)CC#N
- Molecular Weight1
- 309.49
- 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° | 8.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -515.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.52 | kJ/mol | Joback Calculated Property |
| log10WS | -6.50 | Crippen Calculated Property | |
| logPoct/wat | 5.925 | Crippen Calculated Property | |
| McVol | 287.390 | ml/mol | McGowan Calculated Property |
| Pc | 1095.72 | kPa | Joback Calculated Property |
| Inp | [2357.00; 2357.00] |
|
|
| Inp | 2357.00 | NIST | |
| Inp | 2357.00 | NIST | |
| Tboil | 812.49 | K | Joback Calculated Property |
| Tc | 999.36 | K | Joback Calculated Property |
| Tfus | 441.04 | K | Joback Calculated Property |
| Vc | 1.149 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [895.17; 983.31] | J/mol×K | [812.49; 999.36] |
|
| Cp,gas | 895.17 | J/mol×K | 812.49 | Joback Calculated Property |
| Cp,gas | 912.11 | J/mol×K | 843.63 | Joback Calculated Property |
| Cp,gas | 928.12 | J/mol×K | 874.78 | Joback Calculated Property |
| Cp,gas | 943.22 | J/mol×K | 905.92 | Joback Calculated Property |
| Cp,gas | 957.43 | J/mol×K | 937.07 | Joback Calculated Property |
| Cp,gas | 970.78 | J/mol×K | 968.21 | Joback Calculated Property |
| Cp,gas | 983.31 | J/mol×K | 999.36 | Joback Calculated Property |
Similar Compounds
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Sources
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