- InChI
- InChI=1S/C22H34BrNO3/c1-2-3-4-5-6-7-8-9-10-11-17-27-21(25)15-16-24-22(26)19-13-12-14-20(23)18-19/h12-14,18H,2-11,15-17H2,1H3,(H,24,26)
- InChI Key
- QCPLRMLWHRZURK-UHFFFAOYSA-N
- Formula
- C22H34BrNO3
- SMILES
-
CCCCCCCCCCCCOC(=O)CCNC(=O)c1cc
cc(Br)c1 - Molecular Weight1
- 440.41
- 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° | -21.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -549.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.28 | kJ/mol | Joback Calculated Property |
| log10WS | -7.70 | Crippen Calculated Property | |
| logPoct/wat | 6.033 | Crippen Calculated Property | |
| McVol | 333.570 | ml/mol | McGowan Calculated Property |
| Pc | 1254.81 | kPa | Joback Calculated Property |
| Tboil | 980.91 | K | Joback Calculated Property |
| Tc | 1201.88 | K | Joback Calculated Property |
| Tfus | 611.19 | K | Joback Calculated Property |
| Vc | 1.286 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1067.43; 1140.29] | J/mol×K | [980.91; 1201.88] | 
|
| Cp,gas | 1067.43 | J/mol×K | 980.91 | Joback Calculated Property |
| Cp,gas | 1082.25 | J/mol×K | 1017.74 | Joback Calculated Property |
| Cp,gas | 1095.92 | J/mol×K | 1054.57 | Joback Calculated Property |
| Cp,gas | 1108.49 | J/mol×K | 1091.40 | Joback Calculated Property |
| Cp,gas | 1120.03 | J/mol×K | 1128.22 | Joback Calculated Property |
| Cp,gas | 1130.61 | J/mol×K | 1165.05 | Joback Calculated Property |
| Cp,gas | 1140.29 | J/mol×K | 1201.88 | Joback Calculated Property |
Similar Compounds
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Sources
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