- InChI
- InChI=1S/C16H21BrO5/c1-12(2)4-3-9-21-15(18)10-20-11-16(19)22-14-7-5-13(17)6-8-14/h5-8,12H,3-4,9-11H2,1-2H3
- InChI Key
- XUXZNCOYLBAUDC-UHFFFAOYSA-N
- Formula
- C16H21BrO5
- SMILES
-
CC(C)CCCOC(=O)COCC(=O)Oc1ccc(B
r)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° | -374.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -749.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.92 | kJ/mol | Joback Calculated Property |
| log10WS | -4.01 | Crippen Calculated Property | |
| logPoct/wat | 3.350 | Crippen Calculated Property | |
| McVol | 250.790 | ml/mol | McGowan Calculated Property |
| Pc | 1913.58 | kPa | Joback Calculated Property |
| Inp | [2976.00; 2976.00] |
|
|
| Inp | 2976.00 | NIST | |
| Inp | 2976.00 | NIST | |
| Tboil | 837.86 | K | Joback Calculated Property |
| Tc | 1051.85 | K | Joback Calculated Property |
| Tfus | 520.37 | K | Joback Calculated Property |
| Vc | 0.946 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [715.12; 778.03] | J/mol×K | [837.86; 1051.85] |
|
| Cp,gas | 715.12 | J/mol×K | 837.86 | Joback Calculated Property |
| Cp,gas | 728.34 | J/mol×K | 873.53 | Joback Calculated Property |
| Cp,gas | 740.45 | J/mol×K | 909.19 | Joback Calculated Property |
| Cp,gas | 751.47 | J/mol×K | 944.86 | Joback Calculated Property |
| Cp,gas | 761.40 | J/mol×K | 980.52 | Joback Calculated Property |
| Cp,gas | 770.25 | J/mol×K | 1016.19 | Joback Calculated Property |
| Cp,gas | 778.03 | J/mol×K | 1051.85 | Joback Calculated Property |
| η | [0.0000528; 0.0004628] | Pa×s | [520.37; 837.86] |
|
| η | 0.0004628 | Pa×s | 520.37 | Joback Calculated Property |
| η | 0.0002728 | Pa×s | 573.28 | Joback Calculated Property |
| η | 0.0001758 | Pa×s | 626.20 | Joback Calculated Property |
| η | 0.0001213 | Pa×s | 679.12 | Joback Calculated Property |
| η | 0.0000883 | Pa×s | 732.03 | Joback Calculated Property |
| η | 0.0000671 | Pa×s | 784.94 | Joback Calculated Property |
| η | 0.0000528 | Pa×s | 837.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 4-bromophenyl isohexyl ester.
Sources
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