- InChI
- InChI=1S/C23H46BrNO/c1-3-5-7-9-11-13-17-21-25(23(26)19-15-16-20-24)22-18-14-12-10-8-6-4-2/h3-22H2,1-2H3
- InChI Key
- NXBDCOMWLLINIX-UHFFFAOYSA-N
- Formula
- C23H46BrNO
- SMILES
-
CCCCCCCCCN(CCCCCCCCC)C(=O)CCCC
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° | 138.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -536.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.02 | kJ/mol | Joback Calculated Property |
| log10WS | -8.23 | Crippen Calculated Property | |
| logPoct/wat | 7.881 | Crippen Calculated Property | |
| McVol | 363.980 | ml/mol | McGowan Calculated Property |
| Pc | 920.50 | kPa | Joback Calculated Property |
| Inp | [2868.00; 2868.00] |
|
|
| Inp | 2868.00 | NIST | |
| Inp | 2868.00 | NIST | |
| Tboil | 858.11 | K | Joback Calculated Property |
| Tc | 1050.65 | K | Joback Calculated Property |
| Tfus | 491.17 | K | Joback Calculated Property |
| Vc | 1.409 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1159.99; 1266.97] | J/mol×K | [858.11; 1050.65] |
|
| Cp,gas | 1159.99 | J/mol×K | 858.11 | Joback Calculated Property |
| Cp,gas | 1180.31 | J/mol×K | 890.20 | Joback Calculated Property |
| Cp,gas | 1199.54 | J/mol×K | 922.29 | Joback Calculated Property |
| Cp,gas | 1217.76 | J/mol×K | 954.38 | Joback Calculated Property |
| Cp,gas | 1235.03 | J/mol×K | 986.47 | Joback Calculated Property |
| Cp,gas | 1251.41 | J/mol×K | 1018.56 | Joback Calculated Property |
| Cp,gas | 1266.97 | J/mol×K | 1050.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, N,N-dinonyl-5-bromo-.
Sources
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