- InChI
- InChI=1S/C16H31NO/c1-3-5-13-17(14-6-4-2)16(18)12-11-15-9-7-8-10-15/h15H,3-14H2,1-2H3
- InChI Key
- XWPONJHSUQRXHJ-UHFFFAOYSA-N
- Formula
- C16H31NO
- SMILES
- CCCCN(CCCC)C(=O)CCC1CCCC1
- Molecular Weight1
- 253.42
- 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° | 102.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -358.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.26 | kJ/mol | Joback Calculated Property |
| log10WS | -4.52 | Crippen Calculated Property | |
| logPoct/wat | 4.386 | Crippen Calculated Property | |
| McVol | 236.990 | ml/mol | McGowan Calculated Property |
| Pc | 1583.49 | kPa | Joback Calculated Property |
| Inp | [1897.00; 1897.00] |
|
|
| Inp | 1897.00 | NIST | |
| Inp | 1897.00 | NIST | |
| Tboil | 647.07 | K | Joback Calculated Property |
| Tc | 831.29 | K | Joback Calculated Property |
| Tfus | 363.38 | K | Joback Calculated Property |
| Vc | 0.896 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [677.64; 784.44] | J/mol×K | [647.07; 831.29] |
|
| Cp,gas | 677.64 | J/mol×K | 647.07 | Joback Calculated Property |
| Cp,gas | 697.96 | J/mol×K | 677.77 | Joback Calculated Property |
| Cp,gas | 717.22 | J/mol×K | 708.48 | Joback Calculated Property |
| Cp,gas | 735.45 | J/mol×K | 739.18 | Joback Calculated Property |
| Cp,gas | 752.71 | J/mol×K | 769.89 | Joback Calculated Property |
| Cp,gas | 769.02 | J/mol×K | 800.59 | Joback Calculated Property |
| Cp,gas | 784.44 | J/mol×K | 831.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N,N-dibutyl-3-cyclopentyl-.
Sources
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