- InChI
- InChI=1S/C18H16BrClO5/c1-23-16-10-12(19)8-9-15(16)25-18(22)7-3-6-17(21)24-14-5-2-4-13(20)11-14/h2,4-5,8-11H,3,6-7H2,1H3
- InChI Key
- CRSHMTBQLXOWRG-UHFFFAOYSA-N
- Formula
- C18H16BrClO5
- SMILES
-
COc1cc(Br)ccc1OC(=O)CCCC(=O)Oc
1cccc(Cl)c1 - Molecular Weight1
- 427.67
- 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° | -273.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -587.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.74 | kJ/mol | Joback Calculated Property |
| log10WS | -6.13 | Crippen Calculated Property | |
| logPoct/wat | 4.792 | Crippen Calculated Property | |
| McVol | 267.450 | ml/mol | McGowan Calculated Property |
| Pc | 2025.41 | kPa | Joback Calculated Property |
| Inp | [3005.00; 3005.00] |
|
|
| Inp | 3005.00 | NIST | |
| Inp | 3005.00 | NIST | |
| Tboil | 958.13 | K | Joback Calculated Property |
| Tc | 1198.83 | K | Joback Calculated Property |
| Tfus | 639.29 | K | Joback Calculated Property |
| Vc | 1.004 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [742.70; 780.29] | J/mol×K | [958.13; 1198.83] |
|
| Cp,gas | 742.70 | J/mol×K | 958.13 | Joback Calculated Property |
| Cp,gas | 752.28 | J/mol×K | 998.25 | Joback Calculated Property |
| Cp,gas | 760.52 | J/mol×K | 1038.36 | Joback Calculated Property |
| Cp,gas | 767.42 | J/mol×K | 1078.48 | Joback Calculated Property |
| Cp,gas | 773.01 | J/mol×K | 1118.59 | Joback Calculated Property |
| Cp,gas | 777.29 | J/mol×K | 1158.71 | Joback Calculated Property |
| Cp,gas | 780.29 | J/mol×K | 1198.83 | Joback Calculated Property |
| η | [0.0000391; 0.0002105] | Pa×s | [639.29; 958.13] |
|
| η | 0.0002105 | Pa×s | 639.29 | Joback Calculated Property |
| η | 0.0001428 | Pa×s | 692.43 | Joback Calculated Property |
| η | 0.0001023 | Pa×s | 745.57 | Joback Calculated Property |
| η | 0.0000767 | Pa×s | 798.71 | Joback Calculated Property |
| η | 0.0000596 | Pa×s | 851.85 | Joback Calculated Property |
| η | 0.0000477 | Pa×s | 904.99 | Joback Calculated Property |
| η | 0.0000391 | Pa×s | 958.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-chlorophenyl 4-bromo-2-methoxyphenyl ester.
Sources
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