- InChI
- InChI=1S/C19H27BrO5/c1-3-4-12-24-18(21)8-6-5-7-9-19(22)25-14-15-10-11-16(20)13-17(15)23-2/h10-11,13H,3-9,12,14H2,1-2H3
- InChI Key
- KJCCDIHSCGONFA-UHFFFAOYSA-N
- Formula
- C19H27BrO5
- SMILES
-
CCCCOC(=O)CCCCCC(=O)OCc1ccc(Br
)cc1OC - Molecular Weight1
- 415.32
- 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° | -356.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -817.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.64 | kJ/mol | Joback Calculated Property |
| log10WS | -5.96 | Crippen Calculated Property | |
| logPoct/wat | 4.795 | Crippen Calculated Property | |
| McVol | 293.060 | ml/mol | McGowan Calculated Property |
| Pc | 1482.71 | kPa | Joback Calculated Property |
| Inp | [2749.00; 2749.00] |
|
|
| Inp | 2749.00 | NIST | |
| Inp | 2749.00 | NIST | |
| Tboil | 911.92 | K | Joback Calculated Property |
| Tc | 1124.61 | K | Joback Calculated Property |
| Tfus | 581.70 | K | Joback Calculated Property |
| Vc | 1.119 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [886.11; 949.34] | J/mol×K | [911.92; 1124.61] |
|
| Cp,gas | 886.11 | J/mol×K | 911.92 | Joback Calculated Property |
| Cp,gas | 899.67 | J/mol×K | 947.37 | Joback Calculated Property |
| Cp,gas | 912.01 | J/mol×K | 982.82 | Joback Calculated Property |
| Cp,gas | 923.14 | J/mol×K | 1018.26 | Joback Calculated Property |
| Cp,gas | 933.06 | J/mol×K | 1053.71 | Joback Calculated Property |
| Cp,gas | 941.79 | J/mol×K | 1089.16 | Joback Calculated Property |
| Cp,gas | 949.34 | J/mol×K | 1124.61 | Joback Calculated Property |
| η | [0.0000376; 0.0002714] | Pa×s | [581.70; 911.92] |
|
| η | 0.0002714 | Pa×s | 581.70 | Joback Calculated Property |
| η | 0.0001694 | Pa×s | 636.74 | Joback Calculated Property |
| η | 0.0001139 | Pa×s | 691.77 | Joback Calculated Property |
| η | 0.0000812 | Pa×s | 746.81 | Joback Calculated Property |
| η | 0.0000607 | Pa×s | 801.85 | Joback Calculated Property |
| η | 0.0000471 | Pa×s | 856.88 | Joback Calculated Property |
| η | 0.0000376 | Pa×s | 911.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-bromo-2-methoxybenzyl butyl ester.
Sources
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