- InChI
- InChI=1S/C15H19BrO5/c1-2-3-4-9-20-14(17)10-19-11-15(18)21-13-7-5-12(16)6-8-13/h5-8H,2-4,9-11H2,1H3
- InChI Key
- BNEDGBJLGWUIJX-UHFFFAOYSA-N
- Formula
- C15H19BrO5
- SMILES
-
CCCCCOC(=O)COCC(=O)Oc1ccc(Br)c
c1 - Molecular Weight1
- 359.21
- 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° | -380.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -723.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.08 | kJ/mol | Joback Calculated Property |
| log10WS | -3.83 | Crippen Calculated Property | |
| logPoct/wat | 3.104 | Crippen Calculated Property | |
| McVol | 236.700 | ml/mol | McGowan Calculated Property |
| Pc | 2069.88 | kPa | Joback Calculated Property |
| Inp | [2895.00; 2895.00] |
|
|
| Inp | 2895.00 | NIST | |
| Inp | 2895.00 | NIST | |
| Tboil | 815.42 | K | Joback Calculated Property |
| Tc | 1028.12 | K | Joback Calculated Property |
| Tfus | 524.10 | K | Joback Calculated Property |
| Vc | 0.895 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [658.65; 720.30] | J/mol×K | [815.42; 1028.12] |
|
| Cp,gas | 658.65 | J/mol×K | 815.42 | Joback Calculated Property |
| Cp,gas | 671.47 | J/mol×K | 850.87 | Joback Calculated Property |
| Cp,gas | 683.26 | J/mol×K | 886.32 | Joback Calculated Property |
| Cp,gas | 694.04 | J/mol×K | 921.77 | Joback Calculated Property |
| Cp,gas | 703.80 | J/mol×K | 957.22 | Joback Calculated Property |
| Cp,gas | 712.55 | J/mol×K | 992.67 | Joback Calculated Property |
| Cp,gas | 720.30 | J/mol×K | 1028.12 | Joback Calculated Property |
| η | [0.0000665; 0.0004637] | Pa×s | [524.10; 815.42] |
|
| η | 0.0004637 | Pa×s | 524.10 | Joback Calculated Property |
| η | 0.0002925 | Pa×s | 572.65 | Joback Calculated Property |
| η | 0.0001983 | Pa×s | 621.21 | Joback Calculated Property |
| η | 0.0001422 | Pa×s | 669.76 | Joback Calculated Property |
| η | 0.0001067 | Pa×s | 718.31 | Joback Calculated Property |
| η | 0.0000830 | Pa×s | 766.87 | Joback Calculated Property |
| η | 0.0000665 | Pa×s | 815.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 4-bromophenyl pentyl ester.
Sources
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