- InChI
- InChI=1S/C22H44BrNO/c1-5-9-14-20(7-3)18-24(19-21(8-4)15-10-6-2)22(25)16-12-11-13-17-23/h20-21H,5-19H2,1-4H3
- InChI Key
- KDQYJOXEUADVMC-UHFFFAOYSA-N
- Formula
- C22H44BrNO
- SMILES
-
CCCCC(CC)CN(CC(CC)CCCC)C(=O)CC
CCCBr - Molecular Weight1
- 418.50
- 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 | 0.9780 | Relay (1.0) Calculated Property | |
| ΔfG° | 125.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -641.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.203 | Crippen Calculated Property | |
| McVol | 349.890 | ml/mol | McGowan Calculated Property |
| Pc | 986.40 | kPa | Joback Calculated Property |
| Inp | [2469.00; 2469.00] |
|
|
| Inp | 2469.00 | NIST | |
| Inp | 2469.00 | NIST | |
| Tboil | 643.47 | K | Relay (1.0) Calculated Property |
| Tc | 833.35 | K | Relay (1.0) Calculated Property |
| Tfus | 264.52 | K | Relay (1.0) Calculated Property |
| Vc | 1.259 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1098.30; 1202.81] | J/mol×K | [834.35; 1023.65] |
|
| Cp,gas | 1098.30 | J/mol×K | 834.35 | Joback Calculated Property |
| Cp,gas | 1118.18 | J/mol×K | 865.90 | Joback Calculated Property |
| Cp,gas | 1136.99 | J/mol×K | 897.45 | Joback Calculated Property |
| Cp,gas | 1154.81 | J/mol×K | 929.00 | Joback Calculated Property |
| Cp,gas | 1171.67 | J/mol×K | 960.55 | Joback Calculated Property |
| Cp,gas | 1187.65 | J/mol×K | 992.10 | Joback Calculated Property |
| Cp,gas | 1202.81 | J/mol×K | 1023.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanamide, N,N-bis(2-ethylhexyl)-6-bromo-.
Sources
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