- InChI
- InChI=1S/C18H25BrO5/c1-2-3-4-5-6-7-12-23-17(20)13-22-14-18(21)24-16-10-8-15(19)9-11-16/h8-11H,2-7,12-14H2,1H3
- InChI Key
- ASBBAPAXLKSLJE-UHFFFAOYSA-N
- Formula
- C18H25BrO5
- SMILES
-
CCCCCCCCOC(=O)COCC(=O)Oc1ccc(B
r)cc1 - Molecular Weight1
- 401.29
- 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° | -355.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -785.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.76 | kJ/mol | Joback Calculated Property |
| log10WS | -5.08 | Crippen Calculated Property | |
| logPoct/wat | 4.275 | Crippen Calculated Property | |
| McVol | 278.970 | ml/mol | McGowan Calculated Property |
| Pc | 1618.07 | kPa | Joback Calculated Property |
| Inp | [3273.00; 3273.00] |
|
|
| Inp | 3273.00 | NIST | |
| Inp | 3273.00 | NIST | |
| Tboil | 884.06 | K | Joback Calculated Property |
| Tc | 1095.00 | K | Joback Calculated Property |
| Tfus | 557.91 | K | Joback Calculated Property |
| Vc | 1.063 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [828.89; 892.74] | J/mol×K | [884.06; 1095.00] |
|
| Cp,gas | 828.89 | J/mol×K | 884.06 | Joback Calculated Property |
| Cp,gas | 842.38 | J/mol×K | 919.22 | Joback Calculated Property |
| Cp,gas | 854.71 | J/mol×K | 954.37 | Joback Calculated Property |
| Cp,gas | 865.90 | J/mol×K | 989.53 | Joback Calculated Property |
| Cp,gas | 875.96 | J/mol×K | 1024.69 | Joback Calculated Property |
| Cp,gas | 884.90 | J/mol×K | 1059.85 | Joback Calculated Property |
| Cp,gas | 892.74 | J/mol×K | 1095.00 | Joback Calculated Property |
| η | [0.0000429; 0.0003404] | Pa×s | [557.91; 884.06] |
|
| η | 0.0003404 | Pa×s | 557.91 | Joback Calculated Property |
| η | 0.0002068 | Pa×s | 612.27 | Joback Calculated Property |
| η | 0.0001363 | Pa×s | 666.63 | Joback Calculated Property |
| η | 0.0000957 | Pa×s | 720.98 | Joback Calculated Property |
| η | 0.0000705 | Pa×s | 775.34 | Joback Calculated Property |
| η | 0.0000541 | Pa×s | 829.70 | Joback Calculated Property |
| η | 0.0000429 | Pa×s | 884.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 4-bromophenyl octyl ester.
Sources
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