- InChI
- InChI=1S/C25H50BrNO/c1-4-6-8-10-12-14-16-18-20-22-27(25(28)24(3)26)23-21-19-17-15-13-11-9-7-5-2/h24H,4-23H2,1-3H3
- InChI Key
- RERLSKFIOVUBMS-UHFFFAOYSA-N
- Formula
- C25H50BrNO
- SMILES
-
CCCCCCCCCCCN(CCCCCCCCCCC)C(=O)
C(C)Br - Molecular Weight1
- 460.57
- 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 | 1.1319 | Relay (1.0) Calculated Property | |
| ΔfG° | 153.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -661.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.660 | Crippen Calculated Property | |
| McVol | 392.160 | ml/mol | McGowan Calculated Property |
| Pc | 825.74 | kPa | Joback Calculated Property |
| Inp | 2979.00 | NIST | |
| Tboil | 645.00 | K | Relay (1.0) Calculated Property |
| Tc | 845.75 | K | Relay (1.0) Calculated Property |
| Tfus | 336.36 | K | Relay (1.0) Calculated Property |
| Vc | 1.485 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1287.63; 1400.10] | J/mol×K | [903.43; 1106.73] | 
|
| Cp,gas | 1287.63 | J/mol×K | 903.43 | Joback Calculated Property |
| Cp,gas | 1309.12 | J/mol×K | 937.31 | Joback Calculated Property |
| Cp,gas | 1329.41 | J/mol×K | 971.20 | Joback Calculated Property |
| Cp,gas | 1348.56 | J/mol×K | 1005.08 | Joback Calculated Property |
| Cp,gas | 1366.68 | J/mol×K | 1038.96 | Joback Calculated Property |
| Cp,gas | 1383.83 | J/mol×K | 1072.85 | Joback Calculated Property |
| Cp,gas | 1400.10 | J/mol×K | 1106.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N,N-diundecyl-2-bromo-.
Sources
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