- InChI
- InChI=1S/C24H41NO/c1-3-5-7-9-11-16-22-25(21-15-10-8-6-4-2)24(26)20-19-23-17-13-12-14-18-23/h12-14,17-18H,3-11,15-16,19-22H2,1-2H3
- InChI Key
- IBCXEYMZEQZVRQ-UHFFFAOYSA-N
- Formula
- C24H41NO
- SMILES
-
CCCCCCCCN(CCCCCCC)C(=O)CCc1ccc
cc1 - Molecular Weight1
- 359.60
- 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 | 0.9967 | Relay (1.0) Calculated Property | |
| ΔfG° | 245.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -406.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.779 | Crippen Calculated Property | |
| McVol | 336.810 | ml/mol | McGowan Calculated Property |
| Pc | 1020.73 | kPa | Joback Calculated Property |
| Inp | [2664.00; 2664.00] |
|
|
| Inp | 2664.00 | NIST | |
| Inp | 2664.00 | NIST | |
| Tboil | 652.83 | K | Relay (1.0) Calculated Property |
| Tc | 867.75 | K | Relay (1.0) Calculated Property |
| Tfus | 277.30 | K | Relay (1.0) Calculated Property |
| Vc | 1.267 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.79; 1166.04] | 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 | -5.61650e+01 | |||
| Coefficient B | 2.30084e+00 | |||
| Coefficient C | -1.40690e-03 | |||
| Coefficient D | 3.28260e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 473.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 596.27 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 704.94 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 800.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 884.99 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 958.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1022.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1077.41 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1125.00 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1166.04 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-heptyl-N-octyl-3-phenyl-.
Sources
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