- InChI
- InChI=1S/C17H24BrNO3/c1-2-3-4-5-8-13-22-16(20)11-12-19-17(21)14-9-6-7-10-15(14)18/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,19,21)
- InChI Key
- LSDYNHDCMSGVST-UHFFFAOYSA-N
- Formula
- C17H24BrNO3
- SMILES
-
CCCCCCCOC(=O)CCNC(=O)c1ccccc1B
r - Molecular Weight1
- 370.28
- 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° | -64.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -446.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.15 | kJ/mol | Joback Calculated Property |
| log10WS | -5.61 | Crippen Calculated Property | |
| logPoct/wat | 4.083 | Crippen Calculated Property | |
| McVol | 263.120 | ml/mol | McGowan Calculated Property |
| Pc | 1821.61 | kPa | Joback Calculated Property |
| Inp | [2651.00; 2651.00] |
|
|
| Inp | 2651.00 | NIST | |
| Inp | 2651.00 | NIST | |
| Tboil | 866.51 | K | Joback Calculated Property |
| Tc | 1079.95 | K | Joback Calculated Property |
| Tfus | 554.84 | K | Joback Calculated Property |
| Vc | 1.006 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [771.72; 838.55] | J/mol×K | [866.51; 1079.95] |
|
| Cp,gas | 771.72 | J/mol×K | 866.51 | Joback Calculated Property |
| Cp,gas | 785.21 | J/mol×K | 902.08 | Joback Calculated Property |
| Cp,gas | 797.70 | J/mol×K | 937.66 | Joback Calculated Property |
| Cp,gas | 809.23 | J/mol×K | 973.23 | Joback Calculated Property |
| Cp,gas | 819.86 | J/mol×K | 1008.81 | Joback Calculated Property |
| Cp,gas | 829.61 | J/mol×K | 1044.38 | Joback Calculated Property |
| Cp,gas | 838.55 | J/mol×K | 1079.95 | Joback Calculated Property |
Similar Compounds
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Sources
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