- InChI
- InChI=1S/C21H31BrO5/c1-3-4-5-9-14-26-20(23)10-7-6-8-11-21(24)27-16-17-12-13-18(22)15-19(17)25-2/h12-13,15H,3-11,14,16H2,1-2H3
- InChI Key
- OMCVAOBOQBTMDP-UHFFFAOYSA-N
- Formula
- C21H31BrO5
- SMILES
-
CCCCCCOC(=O)CCCCCC(=O)OCc1ccc(
Br)cc1OC - Molecular Weight1
- 443.37
- 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° | -339.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -858.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.10 | kJ/mol | Joback Calculated Property |
| log10WS | -6.80 | Crippen Calculated Property | |
| logPoct/wat | 5.575 | Crippen Calculated Property | |
| McVol | 321.240 | ml/mol | McGowan Calculated Property |
| Pc | 1285.59 | kPa | Joback Calculated Property |
| Inp | [2953.00; 2953.00] |
|
|
| Inp | 2953.00 | NIST | |
| Inp | 2953.00 | NIST | |
| Tboil | 957.68 | K | Joback Calculated Property |
| Tc | 1174.68 | K | Joback Calculated Property |
| Tfus | 604.24 | K | Joback Calculated Property |
| Vc | 1.232 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1004.65; 1067.83] | J/mol×K | [957.68; 1174.68] |
|
| Cp,gas | 1004.65 | J/mol×K | 957.68 | Joback Calculated Property |
| Cp,gas | 1018.52 | J/mol×K | 993.85 | Joback Calculated Property |
| Cp,gas | 1031.03 | J/mol×K | 1030.01 | Joback Calculated Property |
| Cp,gas | 1042.19 | J/mol×K | 1066.18 | Joback Calculated Property |
| Cp,gas | 1052.04 | J/mol×K | 1102.35 | Joback Calculated Property |
| Cp,gas | 1060.58 | J/mol×K | 1138.51 | Joback Calculated Property |
| Cp,gas | 1067.83 | J/mol×K | 1174.68 | Joback Calculated Property |
| η | [0.0000278; 0.0002168] | Pa×s | [604.24; 957.68] |
|
| η | 0.0002168 | Pa×s | 604.24 | Joback Calculated Property |
| η | 0.0001323 | Pa×s | 663.15 | Joback Calculated Property |
| η | 0.0000875 | Pa×s | 722.05 | Joback Calculated Property |
| η | 0.0000616 | Pa×s | 780.96 | Joback Calculated Property |
| η | 0.0000455 | Pa×s | 839.87 | Joback Calculated Property |
| η | 0.0000350 | Pa×s | 898.77 | Joback Calculated Property |
| η | 0.0000278 | Pa×s | 957.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-bromo-2-methoxybenzyl hexyl ester.
Sources
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