- InChI
- InChI=1S/C20H28BrClO5/c1-25-18-15-16(21)11-12-17(18)27-20(24)10-8-9-19(23)26-14-7-5-3-2-4-6-13-22/h11-12,15H,2-10,13-14H2,1H3
- InChI Key
- JROSGHXZWPDSKV-UHFFFAOYSA-N
- Formula
- C20H28BrClO5
- SMILES
-
COc1cc(Br)ccc1OC(=O)CCCC(=O)OC
CCCCCCCCl - Molecular Weight1
- 463.79
- 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 | 1.1086 | Relay (1.0) Calculated Property | |
| ΔfG° | -359.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -953.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.656 | Crippen Calculated Property | |
| McVol | 319.390 | ml/mol | McGowan Calculated Property |
| Pc | 1341.76 | kPa | Joback Calculated Property |
| Inp | 3192.00 | NIST | |
| Tboil | 683.94 | K | Relay (1.0) Calculated Property |
| Tc | 904.25 | K | Relay (1.0) Calculated Property |
| Tfus | 337.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.153 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [967.90; 1023.03] | J/mol×K | [972.23; 1192.96] | 
|
| Cp,gas | 967.90 | J/mol×K | 972.23 | Joback Calculated Property |
| Cp,gas | 980.35 | J/mol×K | 1009.02 | Joback Calculated Property |
| Cp,gas | 991.47 | J/mol×K | 1045.81 | Joback Calculated Property |
| Cp,gas | 1001.28 | J/mol×K | 1082.59 | Joback Calculated Property |
| Cp,gas | 1009.80 | J/mol×K | 1119.38 | Joback Calculated Property |
| Cp,gas | 1017.05 | J/mol×K | 1156.17 | Joback Calculated Property |
| Cp,gas | 1023.03 | J/mol×K | 1192.96 | Joback Calculated Property |
| η | [0.0000272; 0.0001976] | Pa×s | [622.89; 972.23] |
|
| η | 0.0001976 | Pa×s | 622.89 | Joback Calculated Property |
| η | 0.0001233 | Pa×s | 681.11 | Joback Calculated Property |
| η | 0.0000828 | Pa×s | 739.34 | Joback Calculated Property |
| η | 0.0000590 | Pa×s | 797.56 | Joback Calculated Property |
| η | 0.0000440 | Pa×s | 855.78 | Joback Calculated Property |
| η | 0.0000340 | Pa×s | 914.01 | Joback Calculated Property |
| η | 0.0000272 | Pa×s | 972.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 8-chlorooctyl 4-bromo-2-methoxyphenyl ester.
Sources
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