- InChI
- InChI=1S/C19H26BrClO4/c20-16-10-12-17(13-11-16)25-19(23)9-7-8-18(22)24-15-6-4-2-1-3-5-14-21/h10-13H,1-9,14-15H2
- InChI Key
- QKSIFXNXKPPKKN-UHFFFAOYSA-N
- Formula
- C19H26BrClO4
- SMILES
-
O=C(CCCC(=O)Oc1ccc(Br)cc1)OCCC
CCCCCCl - Molecular Weight1
- 433.76
- 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 | 1.0351 | Relay (1.0) Calculated Property | |
| ΔfG° | -253.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -814.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.647 | Crippen Calculated Property | |
| McVol | 299.430 | ml/mol | McGowan Calculated Property |
| Pc | 1477.02 | kPa | Joback Calculated Property |
| Inp | [3070.00; 3070.00] |
|
|
| Inp | 3070.00 | NIST | |
| Inp | 3070.00 | NIST | |
| Tboil | 672.04 | K | Relay (1.0) Calculated Property |
| Tc | 889.59 | K | Relay (1.0) Calculated Property |
| Tfus | 325.54 | K | Relay (1.0) Calculated Property |
| Vc | 1.079 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [883.36; 945.95] | J/mol×K | [921.95; 1137.59] |
|
| Cp,gas | 883.36 | J/mol×K | 921.95 | Joback Calculated Property |
| Cp,gas | 896.45 | J/mol×K | 957.89 | Joback Calculated Property |
| Cp,gas | 908.42 | J/mol×K | 993.83 | Joback Calculated Property |
| Cp,gas | 919.33 | J/mol×K | 1029.77 | Joback Calculated Property |
| Cp,gas | 929.19 | J/mol×K | 1065.71 | Joback Calculated Property |
| Cp,gas | 938.06 | J/mol×K | 1101.65 | Joback Calculated Property |
| Cp,gas | 945.95 | J/mol×K | 1137.59 | Joback Calculated Property |
| η | [0.0000421; 0.0003525] | Pa×s | [576.87; 921.95] |
|
| η | 0.0003525 | Pa×s | 576.87 | Joback Calculated Property |
| η | 0.0002107 | Pa×s | 634.38 | Joback Calculated Property |
| η | 0.0001372 | Pa×s | 691.90 | Joback Calculated Property |
| η | 0.0000954 | Pa×s | 749.41 | Joback Calculated Property |
| η | 0.0000699 | Pa×s | 806.92 | Joback Calculated Property |
| η | 0.0000533 | Pa×s | 864.44 | Joback Calculated Property |
| η | 0.0000421 | Pa×s | 921.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 8-chlorooctyl 4-bromophenyl ester.
Sources
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