- InChI
- InChI=1S/C23H35BrO5/c1-3-4-5-6-7-11-16-28-22(25)12-9-8-10-13-23(26)29-18-19-14-15-20(24)17-21(19)27-2/h14-15,17H,3-13,16,18H2,1-2H3
- InChI Key
- ZSHRAIGIATXHBT-UHFFFAOYSA-N
- Formula
- C23H35BrO5
- SMILES
-
CCCCCCCCOC(=O)CCCCCC(=O)OCc1cc
c(Br)cc1OC - Molecular Weight1
- 471.43
- 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° | -322.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -899.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.55 | kJ/mol | Joback Calculated Property |
| log10WS | -7.64 | Crippen Calculated Property | |
| logPoct/wat | 6.355 | Crippen Calculated Property | |
| McVol | 349.420 | ml/mol | McGowan Calculated Property |
| Pc | 1125.32 | kPa | Joback Calculated Property |
| Inp | [3152.00; 3152.00] |
|
|
| Inp | 3152.00 | NIST | |
| Inp | 3152.00 | NIST | |
| Tboil | 1003.44 | K | Joback Calculated Property |
| Tc | 1228.50 | K | Joback Calculated Property |
| Tfus | 626.78 | K | Joback Calculated Property |
| Vc | 1.343 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1125.30; 1187.81] | J/mol×K | [1003.44; 1228.50] |
|
| Cp,gas | 1125.30 | J/mol×K | 1003.44 | Joback Calculated Property |
| Cp,gas | 1139.46 | J/mol×K | 1040.95 | Joback Calculated Property |
| Cp,gas | 1152.08 | J/mol×K | 1078.46 | Joback Calculated Property |
| Cp,gas | 1163.20 | J/mol×K | 1115.97 | Joback Calculated Property |
| Cp,gas | 1172.84 | J/mol×K | 1153.48 | Joback Calculated Property |
| Cp,gas | 1181.03 | J/mol×K | 1190.99 | Joback Calculated Property |
| Cp,gas | 1187.81 | J/mol×K | 1228.50 | Joback Calculated Property |
| η | [0.0000204; 0.0001712] | Pa×s | [626.78; 1003.44] |
|
| η | 0.0001712 | Pa×s | 626.78 | Joback Calculated Property |
| η | 0.0001022 | Pa×s | 689.56 | Joback Calculated Property |
| η | 0.0000665 | Pa×s | 752.33 | Joback Calculated Property |
| η | 0.0000463 | Pa×s | 815.11 | Joback Calculated Property |
| η | 0.0000339 | Pa×s | 877.89 | Joback Calculated Property |
| η | 0.0000259 | Pa×s | 940.66 | Joback Calculated Property |
| η | 0.0000204 | Pa×s | 1003.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-bromo-2-methoxybenzyl octyl ester.
Sources
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