- InChI
- InChI=1S/C26H51NO/c1-3-5-7-9-11-13-17-23-27(24-18-14-12-10-8-6-4-2)26(28)22-21-25-19-15-16-20-25/h25H,3-24H2,1-2H3
- InChI Key
- GZEZXLFPTNJDPH-UHFFFAOYSA-N
- Formula
- C26H51NO
- SMILES
-
CCCCCCCCCN(CCCCCCCCC)C(=O)CCC1
CCCC1 - Molecular Weight1
- 393.69
- 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 | 1.0493 | Relay (1.0) Calculated Property | |
| ΔfG° | 186.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -679.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.287 | Crippen Calculated Property | |
| McVol | 377.890 | ml/mol | McGowan Calculated Property |
| Pc | 829.07 | kPa | Joback Calculated Property |
| Inp | [2876.00; 2876.00] |
|
|
| Inp | 2876.00 | NIST | |
| Inp | 2876.00 | NIST | |
| Tboil | 666.79 | K | Relay (1.0) Calculated Property |
| Tc | 873.37 | K | Relay (1.0) Calculated Property |
| Tfus | 292.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.432 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [540.25; 1371.04] | 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 | -8.45620e+01 | |||
| Coefficient B | 2.70144e+00 | |||
| Coefficient C | -1.61190e-03 | |||
| Coefficient D | 3.66060e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 540.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 685.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 815.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 929.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1030.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1119.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1196.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1263.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1320.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1371.04 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N,N-dinonyl-3-cyclopentyl-.
Sources
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