- InChI
- InChI=1S/C28H49NO2/c1-4-6-8-10-12-14-16-18-23-29(24-19-17-15-13-11-9-7-5-2)28(30)26-21-20-22-27(25-26)31-3/h20-22,25H,4-19,23-24H2,1-3H3
- InChI Key
- NCLSNTVLKJGEPC-UHFFFAOYSA-N
- Formula
- C28H49NO2
- SMILES
-
CCCCCCCCCCN(CCCCCCCCCC)C(=O)c1
cccc(OC)c1 - Molecular Weight1
- 431.69
- 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 | 1.2223 | Relay (1.0) Calculated Property | |
| ΔfG° | 164.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -613.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.419 | Crippen Calculated Property | |
| McVol | 399.040 | ml/mol | McGowan Calculated Property |
| Pc | 795.28 | kPa | Joback Calculated Property |
| Inp | [3321.00; 3321.00] |
|
|
| Inp | 3321.00 | NIST | |
| Inp | 3321.00 | NIST | |
| Tboil | 701.89 | K | Relay (1.0) Calculated Property |
| Tc | 900.63 | K | Relay (1.0) Calculated Property |
| Tfus | 320.42 | K | Relay (1.0) Calculated Property |
| Vc | 1.500 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1365.06; 1470.19] | J/mol×K | [960.43; 1177.42] |
|
| Cp,gas | 1365.06 | J/mol×K | 960.43 | Joback Calculated Property |
| Cp,gas | 1385.97 | J/mol×K | 996.59 | Joback Calculated Property |
| Cp,gas | 1405.41 | J/mol×K | 1032.76 | Joback Calculated Property |
| Cp,gas | 1423.47 | J/mol×K | 1068.92 | Joback Calculated Property |
| Cp,gas | 1440.23 | J/mol×K | 1105.09 | Joback Calculated Property |
| Cp,gas | 1455.77 | J/mol×K | 1141.25 | Joback Calculated Property |
| Cp,gas | 1470.19 | J/mol×K | 1177.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N,N-didecyl-3-methoxy-.
Sources
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