- InChI
- InChI=1S/C29H50BrNO/c1-3-5-7-9-11-13-15-17-19-24-31(29(32)27-22-21-23-28(30)26-27)25-20-18-16-14-12-10-8-6-4-2/h21-23,26H,3-20,24-25H2,1-2H3
- InChI Key
- JXRJQTVTCGKAIP-UHFFFAOYSA-N
- Formula
- C29H50BrNO
- SMILES
-
CCCCCCCCCCCN(CCCCCCCCCCC)C(=O)
c1cccc(Br)c1 - Molecular Weight1
- 508.62
- 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° | 292.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -435.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 74.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.31 | kJ/mol | Joback Calculated Property |
| log10WS | -11.15 | Crippen Calculated Property | |
| logPoct/wat | 9.953 | Crippen Calculated Property | |
| McVol | 424.760 | ml/mol | McGowan Calculated Property |
| Pc | 790.82 | kPa | Joback Calculated Property |
| Inp | [3693.00; 3693.00] |
|
|
| Inp | 3693.00 | NIST | |
| Inp | 3693.00 | NIST | |
| Tboil | 1027.05 | K | Joback Calculated Property |
| Tc | 1261.79 | K | Joback Calculated Property |
| Tfus | 597.73 | K | Joback Calculated Property |
| Vc | 1.637 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1445.33; 1554.95] | J/mol×K | [1027.05; 1261.79] |
|
| Cp,gas | 1445.33 | J/mol×K | 1027.05 | Joback Calculated Property |
| Cp,gas | 1466.29 | J/mol×K | 1066.17 | Joback Calculated Property |
| Cp,gas | 1485.98 | J/mol×K | 1105.30 | Joback Calculated Property |
| Cp,gas | 1504.55 | J/mol×K | 1144.42 | Joback Calculated Property |
| Cp,gas | 1522.14 | J/mol×K | 1183.54 | Joback Calculated Property |
| Cp,gas | 1538.89 | J/mol×K | 1222.66 | Joback Calculated Property |
| Cp,gas | 1554.95 | J/mol×K | 1261.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N,N-diundecyl-3-bromo-.
Sources
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