- InChI
- InChI=1S/C14H17BrO5/c1-2-3-8-19-13(16)9-18-10-14(17)20-12-6-4-11(15)5-7-12/h4-7H,2-3,8-10H2,1H3
- InChI Key
- XLRAIYDBMVXHII-UHFFFAOYSA-N
- Formula
- C14H17BrO5
- SMILES
-
CCCCOC(=O)COCC(=O)Oc1ccc(Br)cc
1 - Molecular Weight1
- 345.19
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8350 | Relay (1.0) Calculated Property | |
| ΔfG° | -388.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -813.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.714 | Crippen Calculated Property | |
| McVol | 222.610 | ml/mol | McGowan Calculated Property |
| Pc | 2263.26 | kPa | Joback Calculated Property |
| Inp | [2763.00; 2763.00] |
|
|
| Inp | 2763.00 | NIST | |
| Inp | 2763.00 | NIST | |
| Tboil | 638.33 | K | Relay (1.0) Calculated Property |
| Tc | 825.29 | K | Relay (1.0) Calculated Property |
| Tfus | 306.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.801 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [603.70; 664.08] | J/mol×K | [792.54; 1007.11] |
|
| Cp,gas | 603.70 | J/mol×K | 792.54 | Joback Calculated Property |
| Cp,gas | 616.21 | J/mol×K | 828.30 | Joback Calculated Property |
| Cp,gas | 627.74 | J/mol×K | 864.06 | Joback Calculated Property |
| Cp,gas | 638.29 | J/mol×K | 899.82 | Joback Calculated Property |
| Cp,gas | 647.86 | J/mol×K | 935.59 | Joback Calculated Property |
| Cp,gas | 656.46 | J/mol×K | 971.35 | Joback Calculated Property |
| Cp,gas | 664.08 | J/mol×K | 1007.11 | Joback Calculated Property |
| η | [0.0000766; 0.0005100] | Pa×s | [512.83; 792.54] |
|
| η | 0.0005100 | Pa×s | 512.83 | Joback Calculated Property |
| η | 0.0003260 | Pa×s | 559.45 | Joback Calculated Property |
| η | 0.0002232 | Pa×s | 606.07 | Joback Calculated Property |
| η | 0.0001613 | Pa×s | 652.68 | Joback Calculated Property |
| η | 0.0001218 | Pa×s | 699.30 | Joback Calculated Property |
| η | 0.0000952 | Pa×s | 745.92 | Joback Calculated Property |
| η | 0.0000766 | Pa×s | 792.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 4-bromophenyl butyl ester.
Sources
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