- InChI
- InChI=1S/C15H19BrO4/c1-2-9-19-14(17)7-4-8-15(18)20-11-12-5-3-6-13(16)10-12/h3,5-6,10H,2,4,7-9,11H2,1H3
- InChI Key
- NONOZQLTHTZXOK-UHFFFAOYSA-N
- Formula
- C15H19BrO4
- SMILES
-
CCCOC(=O)CCCC(=O)OCc1cccc(Br)c
1 - Molecular Weight1
- 343.21
- 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).
- 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° | -275.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -591.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.67 | kJ/mol | Joback Calculated Property |
| log10WS | -4.59 | Crippen Calculated Property | |
| logPoct/wat | 3.616 | Crippen Calculated Property | |
| McVol | 230.830 | ml/mol | McGowan Calculated Property |
| Pc | 2102.27 | kPa | Joback Calculated Property |
| Inp | [2514.00; 2514.00] |
|
|
| Inp | 2514.00 | NIST | |
| Inp | 2514.00 | NIST | |
| Tboil | 793.00 | K | Joback Calculated Property |
| Tc | 1006.77 | K | Joback Calculated Property |
| Tfus | 501.87 | K | Joback Calculated Property |
| Vc | 0.877 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [632.16; 697.29] | J/mol×K | [793.00; 1006.77] |
|
| Cp,gas | 632.16 | J/mol×K | 793.00 | Joback Calculated Property |
| Cp,gas | 645.38 | J/mol×K | 828.63 | Joback Calculated Property |
| Cp,gas | 657.63 | J/mol×K | 864.26 | Joback Calculated Property |
| Cp,gas | 668.93 | J/mol×K | 899.88 | Joback Calculated Property |
| Cp,gas | 679.29 | J/mol×K | 935.51 | Joback Calculated Property |
| Cp,gas | 688.74 | J/mol×K | 971.14 | Joback Calculated Property |
| Cp,gas | 697.29 | J/mol×K | 1006.77 | Joback Calculated Property |
| η | [0.0000885; 0.0006502] | Pa×s | [501.87; 793.00] |
|
| η | 0.0006502 | Pa×s | 501.87 | Joback Calculated Property |
| η | 0.0004028 | Pa×s | 550.39 | Joback Calculated Property |
| η | 0.0002696 | Pa×s | 598.91 | Joback Calculated Property |
| η | 0.0001917 | Pa×s | 647.43 | Joback Calculated Property |
| η | 0.0001429 | Pa×s | 695.96 | Joback Calculated Property |
| η | 0.0001107 | Pa×s | 744.48 | Joback Calculated Property |
| η | 0.0000885 | Pa×s | 793.00 | Joback Calculated Property |
Similar Compounds
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Sources
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