- InChI
- InChI=1S/C24H38BrNO3/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-29-23(27)20-26(2)24(28)21-17-14-15-18-22(21)25/h14-15,17-18H,3-13,16,19-20H2,1-2H3
- InChI Key
- IZNDKTAEMSJHHD-UHFFFAOYSA-N
- Formula
- C24H38BrNO3
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CN(C)C(=O)
c1ccccc1Br - Molecular Weight1
- 468.47
- 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).
- 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° | 16.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -577.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.34 | kJ/mol | Joback Calculated Property |
| log10WS | -7.92 | Crippen Calculated Property | |
| logPoct/wat | 6.765 | Crippen Calculated Property | |
| McVol | 361.750 | ml/mol | McGowan Calculated Property |
| Pc | 1089.22 | kPa | Joback Calculated Property |
| Tboil | 988.94 | K | Joback Calculated Property |
| Tc | 1210.78 | K | Joback Calculated Property |
| Tfus | 613.54 | K | Joback Calculated Property |
| Vc | 1.381 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1174.59; 1255.70] | J/mol×K | [988.94; 1210.78] | 
|
| Cp,gas | 1174.59 | J/mol×K | 988.94 | Joback Calculated Property |
| Cp,gas | 1190.84 | J/mol×K | 1025.91 | Joback Calculated Property |
| Cp,gas | 1205.88 | J/mol×K | 1062.89 | Joback Calculated Property |
| Cp,gas | 1219.81 | J/mol×K | 1099.86 | Joback Calculated Property |
| Cp,gas | 1232.70 | J/mol×K | 1136.83 | Joback Calculated Property |
| Cp,gas | 1244.64 | J/mol×K | 1173.81 | Joback Calculated Property |
| Cp,gas | 1255.70 | J/mol×K | 1210.78 | Joback Calculated Property |
Similar Compounds
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Sources
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