- InChI
- InChI=1S/C28H56BrNO/c1-3-5-7-9-11-13-15-17-22-26-30(28(31)24-20-19-21-25-29)27-23-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
- InChI Key
- YTUVWMGIUYOONX-UHFFFAOYSA-N
- Formula
- C28H56BrNO
- SMILES
-
CCCCCCCCCCCN(CCCCCCCCCCC)C(=O)
CCCCCBr - Molecular Weight1
- 502.65
- 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° | 181.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -639.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 78.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.15 | kJ/mol | Joback Calculated Property |
| log10WS | -10.32 | Crippen Calculated Property | |
| logPoct/wat | 9.832 | Crippen Calculated Property | |
| McVol | 434.430 | ml/mol | McGowan Calculated Property |
| Pc | 701.35 | kPa | Joback Calculated Property |
| Inp | [3577.00; 3577.00] |
|
|
| Inp | 3577.00 | NIST | |
| Inp | 3577.00 | NIST | |
| Tboil | 972.51 | K | Joback Calculated Property |
| Tc | 1201.61 | K | Joback Calculated Property |
| Tfus | 547.52 | K | Joback Calculated Property |
| Vc | 1.690 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1482.50; 1607.75] | J/mol×K | [972.51; 1201.61] |
|
| Cp,gas | 1482.50 | J/mol×K | 972.51 | Joback Calculated Property |
| Cp,gas | 1506.59 | J/mol×K | 1010.69 | Joback Calculated Property |
| Cp,gas | 1529.22 | J/mol×K | 1048.88 | Joback Calculated Property |
| Cp,gas | 1550.52 | J/mol×K | 1087.06 | Joback Calculated Property |
| Cp,gas | 1570.62 | J/mol×K | 1125.24 | Joback Calculated Property |
| Cp,gas | 1589.65 | J/mol×K | 1163.42 | Joback Calculated Property |
| Cp,gas | 1607.75 | J/mol×K | 1201.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanamide, N,N-diundecyl-6-bromo-.
Sources
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