- InChI
- InChI=1S/C22H33BrO5/c1-3-4-5-6-10-15-27-21(24)11-8-7-9-12-22(25)28-17-18-13-14-19(23)16-20(18)26-2/h13-14,16H,3-12,15,17H2,1-2H3
- InChI Key
- UEDYDKKZHQNWKK-UHFFFAOYSA-N
- Formula
- C22H33BrO5
- SMILES
-
CCCCCCCOC(=O)CCCCCC(=O)OCc1ccc
(Br)cc1OC - Molecular Weight1
- 457.40
- 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° | -331.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -879.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.32 | kJ/mol | Joback Calculated Property |
| log10WS | -7.22 | Crippen Calculated Property | |
| logPoct/wat | 5.965 | Crippen Calculated Property | |
| McVol | 335.330 | ml/mol | McGowan Calculated Property |
| Pc | 1201.46 | kPa | Joback Calculated Property |
| Inp | [3052.00; 3052.00] |
|
|
| Inp | 3052.00 | NIST | |
| Inp | 3052.00 | NIST | |
| Tboil | 980.56 | K | Joback Calculated Property |
| Tc | 1201.09 | K | Joback Calculated Property |
| Tfus | 615.51 | K | Joback Calculated Property |
| Vc | 1.288 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1064.74; 1127.66] | J/mol×K | [980.56; 1201.09] |
|
| Cp,gas | 1064.74 | J/mol×K | 980.56 | Joback Calculated Property |
| Cp,gas | 1078.75 | J/mol×K | 1017.31 | Joback Calculated Property |
| Cp,gas | 1091.32 | J/mol×K | 1054.07 | Joback Calculated Property |
| Cp,gas | 1102.48 | J/mol×K | 1090.82 | Joback Calculated Property |
| Cp,gas | 1112.23 | J/mol×K | 1127.58 | Joback Calculated Property |
| Cp,gas | 1120.62 | J/mol×K | 1164.33 | Joback Calculated Property |
| Cp,gas | 1127.66 | J/mol×K | 1201.09 | Joback Calculated Property |
| η | [0.0000239; 0.0001929] | Pa×s | [615.51; 980.56] |
|
| η | 0.0001929 | Pa×s | 615.51 | Joback Calculated Property |
| η | 0.0001164 | Pa×s | 676.35 | Joback Calculated Property |
| η | 0.0000764 | Pa×s | 737.19 | Joback Calculated Property |
| η | 0.0000534 | Pa×s | 798.03 | Joback Calculated Property |
| η | 0.0000393 | Pa×s | 858.88 | Joback Calculated Property |
| η | 0.0000301 | Pa×s | 919.72 | Joback Calculated Property |
| η | 0.0000239 | Pa×s | 980.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-bromo-2-methoxybenzyl heptyl ester.
Sources
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