- InChI
- InChI=1S/C17H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-20-17(19)14-15-18/h2-14,16H2,1H3
- InChI Key
- KKUINEOCDWINEA-UHFFFAOYSA-N
- Formula
- C17H31NO2
- SMILES
- CCCCCCCCCCCCCCOC(=O)CC#N
- Molecular Weight1
- 281.43
- 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° | -8.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -474.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.07 | kJ/mol | Joback Calculated Property |
| log10WS | -5.67 | Crippen Calculated Property | |
| logPoct/wat | 5.144 | Crippen Calculated Property | |
| McVol | 259.210 | ml/mol | McGowan Calculated Property |
| Pc | 1249.49 | kPa | Joback Calculated Property |
| Inp | [2152.00; 2152.00] |
|
|
| Inp | 2152.00 | NIST | |
| Inp | 2152.00 | NIST | |
| Tboil | 766.73 | K | Joback Calculated Property |
| Tc | 950.19 | K | Joback Calculated Property |
| Tfus | 418.50 | K | Joback Calculated Property |
| Vc | 1.038 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [777.89; 862.25] | J/mol×K | [766.73; 950.19] |
|
| Cp,gas | 777.89 | J/mol×K | 766.73 | Joback Calculated Property |
| Cp,gas | 793.99 | J/mol×K | 797.31 | Joback Calculated Property |
| Cp,gas | 809.25 | J/mol×K | 827.88 | Joback Calculated Property |
| Cp,gas | 823.68 | J/mol×K | 858.46 | Joback Calculated Property |
| Cp,gas | 837.31 | J/mol×K | 889.03 | Joback Calculated Property |
| Cp,gas | 850.16 | J/mol×K | 919.61 | Joback Calculated Property |
| Cp,gas | 862.25 | J/mol×K | 950.19 | Joback Calculated Property |
Similar Compounds
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Sources
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