- InChI
- InChI=1S/C17H23BrO4/c1-2-3-6-12-21-16(19)10-7-11-17(20)22-13-14-8-4-5-9-15(14)18/h4-5,8-9H,2-3,6-7,10-13H2,1H3
- InChI Key
- SWDLJNMSLXDWIC-UHFFFAOYSA-N
- Formula
- C17H23BrO4
- SMILES
-
CCCCCOC(=O)CCCC(=O)OCc1ccccc1B
r - Molecular Weight1
- 371.27
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.8719 | Relay (1.0) Calculated Property | |
| ΔfG° | -258.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -741.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.396 | Crippen Calculated Property | |
| McVol | 259.010 | ml/mol | McGowan Calculated Property |
| Pc | 1775.84 | kPa | Joback Calculated Property |
| Inp | [2453.00; 2453.00] |
|
|
| Inp | 2453.00 | NIST | |
| Inp | 2453.00 | NIST | |
| Tboil | 646.16 | K | Relay (1.0) Calculated Property |
| Tc | 833.17 | K | Relay (1.0) Calculated Property |
| Tfus | 289.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.945 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [744.01; 811.68] | J/mol×K | [838.76; 1049.57] |
|
| Cp,gas | 744.01 | J/mol×K | 838.76 | Joback Calculated Property |
| Cp,gas | 757.80 | J/mol×K | 873.90 | Joback Calculated Property |
| Cp,gas | 770.55 | J/mol×K | 909.03 | Joback Calculated Property |
| Cp,gas | 782.28 | J/mol×K | 944.17 | Joback Calculated Property |
| Cp,gas | 793.04 | J/mol×K | 979.30 | Joback Calculated Property |
| Cp,gas | 802.83 | J/mol×K | 1014.44 | Joback Calculated Property |
| Cp,gas | 811.68 | J/mol×K | 1049.57 | Joback Calculated Property |
| η | [0.0000667; 0.0005356] | Pa×s | [524.41; 838.76] |
|
| η | 0.0005356 | Pa×s | 524.41 | Joback Calculated Property |
| η | 0.0003233 | Pa×s | 576.80 | Joback Calculated Property |
| η | 0.0002123 | Pa×s | 629.19 | Joback Calculated Property |
| η | 0.0001487 | Pa×s | 681.59 | Joback Calculated Property |
| η | 0.0001096 | Pa×s | 733.98 | Joback Calculated Property |
| η | 0.0000841 | Pa×s | 786.37 | Joback Calculated Property |
| η | 0.0000667 | Pa×s | 838.76 | Joback Calculated Property |
Similar Compounds
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Sources
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