- InChI
- InChI=1S/C22H33BrO4/c1-4-7-8-9-10-11-15-26-20(24)22(5-2,6-3)21(25)27-17-18-13-12-14-19(23)16-18/h12-14,16H,4-11,15,17H2,1-3H3
- InChI Key
- CBVGJPKZAYYBCG-UHFFFAOYSA-N
- Formula
- C22H33BrO4
- SMILES
-
CCCCCCCCOC(=O)C(CC)(CC)C(=O)OC
c1cccc(Br)c1 - Molecular Weight1
- 441.40
- 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° | -213.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -744.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.95 | kJ/mol | Joback Calculated Property |
| log10WS | -7.28 | Crippen Calculated Property | |
| logPoct/wat | 6.202 | Crippen Calculated Property | |
| McVol | 329.460 | ml/mol | McGowan Calculated Property |
| Pc | 1245.09 | kPa | Joback Calculated Property |
| Inp | [2635.00; 2635.00] |
|
|
| Inp | 2635.00 | NIST | |
| Inp | 2635.00 | NIST | |
| Tboil | 949.93 | K | Joback Calculated Property |
| Tc | 1168.16 | K | Joback Calculated Property |
| Tfus | 583.18 | K | Joback Calculated Property |
| Vc | 1.258 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1038.02; 1111.73] | J/mol×K | [949.93; 1168.16] |
|
| Cp,gas | 1038.02 | J/mol×K | 949.93 | Joback Calculated Property |
| Cp,gas | 1053.00 | J/mol×K | 986.30 | Joback Calculated Property |
| Cp,gas | 1066.82 | J/mol×K | 1022.67 | Joback Calculated Property |
| Cp,gas | 1079.54 | J/mol×K | 1059.05 | Joback Calculated Property |
| Cp,gas | 1091.21 | J/mol×K | 1095.42 | Joback Calculated Property |
| Cp,gas | 1101.92 | J/mol×K | 1131.79 | Joback Calculated Property |
| Cp,gas | 1111.73 | J/mol×K | 1168.16 | Joback Calculated Property |
| η | [0.0000242; 0.0002670] | Pa×s | [583.18; 949.93] |
|
| η | 0.0002670 | Pa×s | 583.18 | Joback Calculated Property |
| η | 0.0001480 | Pa×s | 644.31 | Joback Calculated Property |
| η | 0.0000909 | Pa×s | 705.43 | Joback Calculated Property |
| η | 0.0000603 | Pa×s | 766.56 | Joback Calculated Property |
| η | 0.0000425 | Pa×s | 827.68 | Joback Calculated Property |
| η | 0.0000315 | Pa×s | 888.80 | Joback Calculated Property |
| η | 0.0000242 | Pa×s | 949.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 3-bromobenzyl octyl ester.
Sources
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