- InChI
- InChI=1S/C19H28BrNO3/c1-2-3-4-5-6-7-8-14-24-18(22)12-13-21-19(23)16-10-9-11-17(20)15-16/h9-11,15H,2-8,12-14H2,1H3,(H,21,23)
- InChI Key
- QYRGPDVIPUGGPI-UHFFFAOYSA-N
- Formula
- C19H28BrNO3
- SMILES
-
CCCCCCCCCOC(=O)CCNC(=O)c1cccc(
Br)c1 - Molecular Weight1
- 398.33
- 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° | -47.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -488.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.60 | kJ/mol | Joback Calculated Property |
| log10WS | -6.45 | Crippen Calculated Property | |
| logPoct/wat | 4.863 | Crippen Calculated Property | |
| McVol | 291.300 | ml/mol | McGowan Calculated Property |
| Pc | 1556.12 | kPa | Joback Calculated Property |
| Inp | 2930.00 | NIST | |
| Tboil | 912.27 | K | Joback Calculated Property |
| Tc | 1126.24 | K | Joback Calculated Property |
| Tfus | 577.38 | K | Joback Calculated Property |
| Vc | 1.119 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [887.92; 957.18] | J/mol×K | [912.27; 1126.24] | 
|
| Cp,gas | 887.92 | J/mol×K | 912.27 | Joback Calculated Property |
| Cp,gas | 901.92 | J/mol×K | 947.93 | Joback Calculated Property |
| Cp,gas | 914.87 | J/mol×K | 983.59 | Joback Calculated Property |
| Cp,gas | 926.82 | J/mol×K | 1019.25 | Joback Calculated Property |
| Cp,gas | 937.82 | J/mol×K | 1054.91 | Joback Calculated Property |
| Cp,gas | 947.93 | J/mol×K | 1090.58 | Joback Calculated Property |
| Cp,gas | 957.18 | J/mol×K | 1126.24 | Joback Calculated Property |
Similar Compounds
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Sources
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