- InChI
- InChI=1S/C20H29BrO5/c1-3-4-8-13-25-19(22)9-6-5-7-10-20(23)26-15-16-11-12-17(21)14-18(16)24-2/h11-12,14H,3-10,13,15H2,1-2H3
- InChI Key
- YDPPAZMDOQLUID-UHFFFAOYSA-N
- Formula
- C20H29BrO5
- SMILES
-
CCCCCOC(=O)CCCCCC(=O)OCc1ccc(B
r)cc1OC - Molecular Weight1
- 429.35
- 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° | -347.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -838.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.87 | kJ/mol | Joback Calculated Property |
| log10WS | -6.38 | Crippen Calculated Property | |
| logPoct/wat | 5.185 | Crippen Calculated Property | |
| McVol | 307.150 | ml/mol | McGowan Calculated Property |
| Pc | 1378.88 | kPa | Joback Calculated Property |
| Inp | [2853.00; 2853.00] |
|
|
| Inp | 2853.00 | NIST | |
| Inp | 2853.00 | NIST | |
| Tboil | 934.80 | K | Joback Calculated Property |
| Tc | 1149.21 | K | Joback Calculated Property |
| Tfus | 592.97 | K | Joback Calculated Property |
| Vc | 1.175 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [945.09; 1008.37] | J/mol×K | [934.80; 1149.21] |
|
| Cp,gas | 945.09 | J/mol×K | 934.80 | Joback Calculated Property |
| Cp,gas | 958.81 | J/mol×K | 970.53 | Joback Calculated Property |
| Cp,gas | 971.24 | J/mol×K | 1006.27 | Joback Calculated Property |
| Cp,gas | 982.40 | J/mol×K | 1042.00 | Joback Calculated Property |
| Cp,gas | 992.29 | J/mol×K | 1077.74 | Joback Calculated Property |
| Cp,gas | 1000.95 | J/mol×K | 1113.47 | Joback Calculated Property |
| Cp,gas | 1008.37 | J/mol×K | 1149.21 | Joback Calculated Property |
| η | [0.0000324; 0.0002430] | Pa×s | [592.97; 934.80] |
|
| η | 0.0002430 | Pa×s | 592.97 | Joback Calculated Property |
| η | 0.0001499 | Pa×s | 649.94 | Joback Calculated Property |
| η | 0.0000999 | Pa×s | 706.91 | Joback Calculated Property |
| η | 0.0000708 | Pa×s | 763.88 | Joback Calculated Property |
| η | 0.0000526 | Pa×s | 820.86 | Joback Calculated Property |
| η | 0.0000406 | Pa×s | 877.83 | Joback Calculated Property |
| η | 0.0000324 | Pa×s | 934.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-bromo-2-methoxybenzyl pentyl ester.
Sources
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