- InChI
- InChI=1S/C29H47BrO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-27(31)29(5-2,6-3)28(32)34-26-22-20-25(30)21-23-26/h20-23H,4-19,24H2,1-3H3
- InChI Key
- KKFIIANNJSKRRK-UHFFFAOYSA-N
- Formula
- C29H47BrO4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC
)C(=O)Oc1ccc(Br)cc1 - Molecular Weight1
- 539.59
- 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° | -154.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -888.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.54 | kJ/mol | Joback Calculated Property |
| log10WS | -10.36 | Crippen Calculated Property | |
| logPoct/wat | 9.185 | Crippen Calculated Property | |
| McVol | 428.090 | ml/mol | McGowan Calculated Property |
| Pc | 813.53 | kPa | Joback Calculated Property |
| Inp | [3396.00; 3396.00] |
|
|
| Inp | 3396.00 | NIST | |
| Inp | 3396.00 | NIST | |
| Tboil | 1110.09 | K | Joback Calculated Property |
| Tc | 1367.77 | K | Joback Calculated Property |
| Tfus | 662.07 | K | Joback Calculated Property |
| Vc | 1.651 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1472.19; 1556.34] | J/mol×K | [1110.09; 1367.77] |
|
| Cp,gas | 1472.19 | J/mol×K | 1110.09 | Joback Calculated Property |
| Cp,gas | 1489.59 | J/mol×K | 1153.04 | Joback Calculated Property |
| Cp,gas | 1505.44 | J/mol×K | 1195.98 | Joback Calculated Property |
| Cp,gas | 1519.89 | J/mol×K | 1238.93 | Joback Calculated Property |
| Cp,gas | 1533.09 | J/mol×K | 1281.87 | Joback Calculated Property |
| Cp,gas | 1545.19 | J/mol×K | 1324.82 | Joback Calculated Property |
| Cp,gas | 1556.34 | J/mol×K | 1367.77 | Joback Calculated Property |
| η | [0.0000077; 0.0001045] | Pa×s | [662.07; 1110.09] |
|
| η | 0.0001045 | Pa×s | 662.07 | Joback Calculated Property |
| η | 0.0000543 | Pa×s | 736.74 | Joback Calculated Property |
| η | 0.0000318 | Pa×s | 811.41 | Joback Calculated Property |
| η | 0.0000204 | Pa×s | 886.08 | Joback Calculated Property |
| η | 0.0000140 | Pa×s | 960.75 | Joback Calculated Property |
| η | 0.0000101 | Pa×s | 1035.42 | Joback Calculated Property |
| η | 0.0000077 | Pa×s | 1110.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-bromophenyl hexadecyl ester.
Sources
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