- InChI
- InChI=1S/C17H23BrO5/c1-2-3-4-5-6-11-22-16(19)12-21-13-17(20)23-15-9-7-14(18)8-10-15/h7-10H,2-6,11-13H2,1H3
- InChI Key
- CYAJDZFCEZGGKD-UHFFFAOYSA-N
- Formula
- C17H23BrO5
- SMILES
-
CCCCCCCOC(=O)COCC(=O)Oc1ccc(Br
)cc1 - Molecular Weight1
- 387.27
- 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° | -363.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -764.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.53 | kJ/mol | Joback Calculated Property |
| log10WS | -4.67 | Crippen Calculated Property | |
| logPoct/wat | 3.885 | Crippen Calculated Property | |
| McVol | 264.880 | ml/mol | McGowan Calculated Property |
| Pc | 1750.67 | kPa | Joback Calculated Property |
| Inp | [3152.00; 3152.00] |
|
|
| Inp | 3152.00 | NIST | |
| Inp | 3152.00 | NIST | |
| Tboil | 861.18 | K | Joback Calculated Property |
| Tc | 1072.02 | K | Joback Calculated Property |
| Tfus | 546.64 | K | Joback Calculated Property |
| Vc | 1.008 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [771.32; 834.66] | J/mol×K | [861.18; 1072.02] |
|
| Cp,gas | 771.32 | J/mol×K | 861.18 | Joback Calculated Property |
| Cp,gas | 784.62 | J/mol×K | 896.32 | Joback Calculated Property |
| Cp,gas | 796.80 | J/mol×K | 931.46 | Joback Calculated Property |
| Cp,gas | 807.89 | J/mol×K | 966.60 | Joback Calculated Property |
| Cp,gas | 817.89 | J/mol×K | 1001.74 | Joback Calculated Property |
| Cp,gas | 826.81 | J/mol×K | 1036.88 | Joback Calculated Property |
| Cp,gas | 834.66 | J/mol×K | 1072.02 | Joback Calculated Property |
| η | [0.0000498; 0.0003788] | Pa×s | [546.64; 861.18] |
|
| η | 0.0003788 | Pa×s | 546.64 | Joback Calculated Property |
| η | 0.0002329 | Pa×s | 599.06 | Joback Calculated Property |
| η | 0.0001549 | Pa×s | 651.49 | Joback Calculated Property |
| η | 0.0001095 | Pa×s | 703.91 | Joback Calculated Property |
| η | 0.0000812 | Pa×s | 756.33 | Joback Calculated Property |
| η | 0.0000626 | Pa×s | 808.76 | Joback Calculated Property |
| η | 0.0000498 | Pa×s | 861.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 4-bromophenyl heptyl ester.
Sources
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