- InChI
- InChI=1S/C18H25BrO5/c1-3-11-23-17(20)7-5-4-6-8-18(21)24-13-14-9-10-15(19)12-16(14)22-2/h9-10,12H,3-8,11,13H2,1-2H3
- InChI Key
- FTVXVMBVIWHXSI-UHFFFAOYSA-N
- Formula
- C18H25BrO5
- SMILES
-
CCCOC(=O)CCCCCC(=O)OCc1ccc(Br)
cc1OC - Molecular Weight1
- 401.29
- 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° | -364.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -796.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.42 | kJ/mol | Joback Calculated Property |
| log10WS | -5.54 | Crippen Calculated Property | |
| logPoct/wat | 4.405 | Crippen Calculated Property | |
| McVol | 278.970 | ml/mol | McGowan Calculated Property |
| Pc | 1598.72 | kPa | Joback Calculated Property |
| Inp | [2649.00; 2649.00] |
|
|
| Inp | 2649.00 | NIST | |
| Inp | 2649.00 | NIST | |
| Tboil | 889.04 | K | Joback Calculated Property |
| Tc | 1100.83 | K | Joback Calculated Property |
| Tfus | 570.43 | K | Joback Calculated Property |
| Vc | 1.063 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [827.78; 890.78] | J/mol×K | [889.04; 1100.83] |
|
| Cp,gas | 827.78 | J/mol×K | 889.04 | Joback Calculated Property |
| Cp,gas | 841.18 | J/mol×K | 924.34 | Joback Calculated Property |
| Cp,gas | 853.41 | J/mol×K | 959.64 | Joback Calculated Property |
| Cp,gas | 864.47 | J/mol×K | 994.93 | Joback Calculated Property |
| Cp,gas | 874.39 | J/mol×K | 1030.23 | Joback Calculated Property |
| Cp,gas | 883.16 | J/mol×K | 1065.53 | Joback Calculated Property |
| Cp,gas | 890.78 | J/mol×K | 1100.83 | Joback Calculated Property |
| η | [0.0000437; 0.0003022] | Pa×s | [570.43; 889.04] |
|
| η | 0.0003022 | Pa×s | 570.43 | Joback Calculated Property |
| η | 0.0001908 | Pa×s | 623.53 | Joback Calculated Property |
| η | 0.0001295 | Pa×s | 676.63 | Joback Calculated Property |
| η | 0.0000930 | Pa×s | 729.74 | Joback Calculated Property |
| η | 0.0000698 | Pa×s | 782.84 | Joback Calculated Property |
| η | 0.0000544 | Pa×s | 835.94 | Joback Calculated Property |
| η | 0.0000437 | Pa×s | 889.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-bromo-2-methoxybenzyl propyl ester.
Sources
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