- InChI
- InChI=1S/C16H21BrO5/c1-2-3-4-5-10-21-15(18)11-20-12-16(19)22-14-8-6-13(17)7-9-14/h6-9H,2-5,10-12H2,1H3
- InChI Key
- MFSSEUUJKJODRN-UHFFFAOYSA-N
- Formula
- C16H21BrO5
- SMILES
-
CCCCCCOC(=O)COCC(=O)Oc1ccc(Br)
cc1 - Molecular Weight1
- 373.24
- 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° | -371.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -744.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.31 | kJ/mol | Joback Calculated Property |
| log10WS | -4.25 | Crippen Calculated Property | |
| logPoct/wat | 3.495 | Crippen Calculated Property | |
| McVol | 250.790 | ml/mol | McGowan Calculated Property |
| Pc | 1900.26 | kPa | Joback Calculated Property |
| Inp | [3025.00; 3025.00] |
|
|
| Inp | 3025.00 | NIST | |
| Inp | 3025.00 | NIST | |
| Tboil | 838.30 | K | Joback Calculated Property |
| Tc | 1049.74 | K | Joback Calculated Property |
| Tfus | 535.37 | K | Joback Calculated Property |
| Vc | 0.952 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [714.55; 777.17] | J/mol×K | [838.30; 1049.74] |
|
| Cp,gas | 714.55 | J/mol×K | 838.30 | Joback Calculated Property |
| Cp,gas | 727.63 | J/mol×K | 873.54 | Joback Calculated Property |
| Cp,gas | 739.64 | J/mol×K | 908.78 | Joback Calculated Property |
| Cp,gas | 750.59 | J/mol×K | 944.02 | Joback Calculated Property |
| Cp,gas | 760.49 | J/mol×K | 979.26 | Joback Calculated Property |
| Cp,gas | 769.35 | J/mol×K | 1014.50 | Joback Calculated Property |
| Cp,gas | 777.17 | J/mol×K | 1049.74 | Joback Calculated Property |
| η | [0.0000576; 0.0004199] | Pa×s | [535.37; 838.30] |
|
| η | 0.0004199 | Pa×s | 535.37 | Joback Calculated Property |
| η | 0.0002615 | Pa×s | 585.86 | Joback Calculated Property |
| η | 0.0001756 | Pa×s | 636.35 | Joback Calculated Property |
| η | 0.0001250 | Pa×s | 686.84 | Joback Calculated Property |
| η | 0.0000932 | Pa×s | 737.32 | Joback Calculated Property |
| η | 0.0000722 | Pa×s | 787.81 | Joback Calculated Property |
| η | 0.0000576 | Pa×s | 838.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 4-bromophenyl hexyl ester.
Sources
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