- InChI
- InChI=1S/C11H10BrClO3/c12-8-4-6-9(7-5-8)16-11(15)3-1-2-10(13)14/h4-7H,1-3H2
- InChI Key
- AOWDQVYPNSNHTI-UHFFFAOYSA-N
- Formula
- C11H10BrClO3
- SMILES
- O=C(Cl)CCCC(=O)Oc1ccc(Br)cc1
- Molecular Weight1
- 305.55
- 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° | -215.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -392.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.74 | kJ/mol | Joback Calculated Property |
| log10WS | -4.13 | Crippen Calculated Property | |
| logPoct/wat | 3.290 | Crippen Calculated Property | |
| McVol | 180.840 | ml/mol | McGowan Calculated Property |
| Pc | 3028.94 | kPa | Joback Calculated Property |
| Inp | [2051.00; 2051.00] |
|
|
| Inp | 2051.00 | NIST | |
| Inp | 2051.00 | NIST | |
| Tboil | 716.49 | K | Joback Calculated Property |
| Tc | 948.49 | K | Joback Calculated Property |
| Tfus | 464.48 | K | Joback Calculated Property |
| Vc | 0.684 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [419.49; 471.18] | J/mol×K | [716.49; 948.49] |
|
| Cp,gas | 419.49 | J/mol×K | 716.49 | Joback Calculated Property |
| Cp,gas | 430.07 | J/mol×K | 755.16 | Joback Calculated Property |
| Cp,gas | 439.82 | J/mol×K | 793.82 | Joback Calculated Property |
| Cp,gas | 448.78 | J/mol×K | 832.49 | Joback Calculated Property |
| Cp,gas | 456.97 | J/mol×K | 871.16 | Joback Calculated Property |
| Cp,gas | 464.43 | J/mol×K | 909.82 | Joback Calculated Property |
| Cp,gas | 471.18 | J/mol×K | 948.49 | Joback Calculated Property |
| η | [0.0001750; 0.0010764] | Pa×s | [464.48; 716.49] |
|
| η | 0.0010764 | Pa×s | 464.48 | Joback Calculated Property |
| η | 0.0007014 | Pa×s | 506.48 | Joback Calculated Property |
| η | 0.0004880 | Pa×s | 548.48 | Joback Calculated Property |
| η | 0.0003576 | Pa×s | 590.49 | Joback Calculated Property |
| η | 0.0002730 | Pa×s | 632.49 | Joback Calculated Property |
| η | 0.0002156 | Pa×s | 674.49 | Joback Calculated Property |
| η | 0.0001750 | Pa×s | 716.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monochloride, 4-bromophenyl ester.
Sources
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