- InChI
- InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-12-17-20-19(21)16-15-18-13-10-11-14-18/h18H,2-17H2,1H3,(H,20,21)
- InChI Key
- BKOVDENZXAKKPH-UHFFFAOYSA-N
- Formula
- C19H37NO
- SMILES
- CCCCCCCCCCCNC(=O)CCC1CCCC1
- Molecular Weight1
- 295.51
- 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 | 0.8589 | Relay (1.0) Calculated Property | |
| ΔfG° | 106.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -562.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.604 | Crippen Calculated Property | |
| McVol | 279.260 | ml/mol | McGowan Calculated Property |
| Pc | 1288.36 | kPa | Joback Calculated Property |
| Inp | [2453.00; 2453.00] |
|
|
| Inp | 2453.00 | NIST | |
| Inp | 2453.00 | NIST | |
| Tboil | 624.18 | K | Relay (1.0) Calculated Property |
| Tc | 845.93 | K | Relay (1.0) Calculated Property |
| Tfus | 302.56 | K | Relay (1.0) Calculated Property |
| Vc | 1.041 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [392.43; 1008.76] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -6.87180e+01 | |||
| Coefficient B | 1.98872e+00 | |||
| Coefficient C | -1.16710e-03 | |||
| Coefficient D | 2.55860e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 392.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 500.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 596.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 681.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 756.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 822.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 879.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 929.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 971.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1008.76 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 3-cyclopentyl-N-undecyl-.
Sources
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