- InChI
- InChI=1S/C23H46BrNO/c1-4-6-8-10-12-14-16-18-20-25(23(26)22(3)24)21-19-17-15-13-11-9-7-5-2/h22H,4-21H2,1-3H3
- InChI Key
- RJTSNDBRYKRGKA-UHFFFAOYSA-N
- Formula
- C23H46BrNO
- SMILES
-
CCCCCCCCCCN(CCCCCCCCCC)C(=O)C(
C)Br - Molecular Weight1
- 432.52
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 136.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -542.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.63 | kJ/mol | Joback Calculated Property |
| log10WS | -8.34 | Crippen Calculated Property | |
| logPoct/wat | 7.880 | Crippen Calculated Property | |
| McVol | 363.980 | ml/mol | McGowan Calculated Property |
| Pc | 924.99 | kPa | Joback Calculated Property |
| Inp | [2750.00; 2750.00] |
|
|
| Inp | 2750.00 | NIST | |
| Inp | 2750.00 | NIST | |
| Tboil | 857.67 | K | Joback Calculated Property |
| Tc | 1050.33 | K | Joback Calculated Property |
| Tfus | 476.17 | K | Joback Calculated Property |
| Vc | 1.403 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1160.43; 1267.24] | J/mol×K | [857.67; 1050.33] |
|
| Cp,gas | 1160.43 | J/mol×K | 857.67 | Joback Calculated Property |
| Cp,gas | 1180.75 | J/mol×K | 889.78 | Joback Calculated Property |
| Cp,gas | 1199.98 | J/mol×K | 921.89 | Joback Calculated Property |
| Cp,gas | 1218.17 | J/mol×K | 954.00 | Joback Calculated Property |
| Cp,gas | 1235.41 | J/mol×K | 986.11 | Joback Calculated Property |
| Cp,gas | 1251.74 | J/mol×K | 1018.22 | Joback Calculated Property |
| Cp,gas | 1267.24 | J/mol×K | 1050.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N,N-didecyl-2-bromo-.
Sources
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