- InChI
- InChI=1S/C16H21BrO4/c1-12(2)10-20-15(18)8-5-9-16(19)21-11-13-6-3-4-7-14(13)17/h3-4,6-7,12H,5,8-11H2,1-2H3
- InChI Key
- UJTPVNQGFPMUHG-UHFFFAOYSA-N
- Formula
- C16H21BrO4
- SMILES
-
CC(C)COC(=O)CCCC(=O)OCc1ccccc1
Br - Molecular Weight1
- 357.24
- 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° | -269.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -617.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.51 | kJ/mol | Joback Calculated Property |
| log10WS | -4.76 | Crippen Calculated Property | |
| logPoct/wat | 3.862 | Crippen Calculated Property | |
| McVol | 244.920 | ml/mol | McGowan Calculated Property |
| Pc | 1942.37 | kPa | Joback Calculated Property |
| Inp | [2307.00; 2307.00] |
|
|
| Inp | 2307.00 | NIST | |
| Inp | 2307.00 | NIST | |
| Tboil | 815.44 | K | Joback Calculated Property |
| Tc | 1030.25 | K | Joback Calculated Property |
| Tfus | 498.14 | K | Joback Calculated Property |
| Vc | 0.927 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [688.18; 755.17] | J/mol×K | [815.44; 1030.25] |
|
| Cp,gas | 688.18 | J/mol×K | 815.44 | Joback Calculated Property |
| Cp,gas | 701.88 | J/mol×K | 851.24 | Joback Calculated Property |
| Cp,gas | 714.53 | J/mol×K | 887.04 | Joback Calculated Property |
| Cp,gas | 726.16 | J/mol×K | 922.85 | Joback Calculated Property |
| Cp,gas | 736.79 | J/mol×K | 958.65 | Joback Calculated Property |
| Cp,gas | 746.45 | J/mol×K | 994.45 | Joback Calculated Property |
| Cp,gas | 755.17 | J/mol×K | 1030.25 | Joback Calculated Property |
| η | [0.0000706; 0.0006585] | Pa×s | [498.14; 815.44] |
|
| η | 0.0006585 | Pa×s | 498.14 | Joback Calculated Property |
| η | 0.0003796 | Pa×s | 551.02 | Joback Calculated Property |
| η | 0.0002410 | Pa×s | 603.91 | Joback Calculated Property |
| η | 0.0001647 | Pa×s | 656.79 | Joback Calculated Property |
| η | 0.0001191 | Pa×s | 709.67 | Joback Calculated Property |
| η | 0.0000900 | Pa×s | 762.56 | Joback Calculated Property |
| η | 0.0000706 | Pa×s | 815.44 | Joback Calculated Property |
Similar Compounds
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Sources
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