- InChI
- InChI=1S/C24H48BrNO/c1-3-5-7-9-11-13-15-17-19-21-26(24(27)23-25)22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3
- InChI Key
- GMTOKSHJAROLMG-UHFFFAOYSA-N
- Formula
- C24H48BrNO
- SMILES
-
CCCCCCCCCCCN(CCCCCCCCCCC)C(=O)
CBr - Molecular Weight1
- 446.55
- 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 | 1.1583 | Relay (1.0) Calculated Property | |
| ΔfG° | 147.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -651.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.271 | Crippen Calculated Property | |
| McVol | 378.070 | ml/mol | McGowan Calculated Property |
| Pc | 869.14 | kPa | Joback Calculated Property |
| Inp | 3016.00 | NIST | |
| Tboil | 653.25 | K | Relay (1.0) Calculated Property |
| Tc | 852.65 | K | Relay (1.0) Calculated Property |
| Tfus | 325.18 | K | Relay (1.0) Calculated Property |
| Vc | 1.432 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1223.29; 1333.16] | J/mol×K | [880.99; 1078.73] | 
|
| Cp,gas | 1223.29 | J/mol×K | 880.99 | Joback Calculated Property |
| Cp,gas | 1244.20 | J/mol×K | 913.95 | Joback Calculated Property |
| Cp,gas | 1263.98 | J/mol×K | 946.90 | Joback Calculated Property |
| Cp,gas | 1282.69 | J/mol×K | 979.86 | Joback Calculated Property |
| Cp,gas | 1300.41 | J/mol×K | 1012.82 | Joback Calculated Property |
| Cp,gas | 1317.21 | J/mol×K | 1045.78 | Joback Calculated Property |
| Cp,gas | 1333.16 | J/mol×K | 1078.73 | Joback Calculated Property |
Similar Compounds
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Sources
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