- InChI
- InChI=1S/C17H16Br2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3
- InChI Key
- FOANIXZHAMJWOI-UHFFFAOYSA-N
- Formula
- C17H16Br2O3
- SMILES
-
CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c
1ccc(Br)cc1 - Molecular Weight1
- 428.12
- CAS
- 39394-17-7
- Other Names
-
- Benzeneacetic acid, 4-bromo-«alpha»-(4-bromophenyl)-«alpha»-hydroxy-, 1-methylethyl ester
- Benzilic acid, 4,4'-dibromo-, isopropyl ester
- Acarol
- Geigy 19851
- GS 19851
- Isopropyl dibromobenzilate
- Isopropyl 4,4'-dibromobenzilate
- Neoron
- Bromobropylate
- Phenisobromolate
- Folbex VA
- 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° | -43.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -302.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.33 | kJ/mol | Joback Calculated Property |
| log10WS | -5.98 | Crippen Calculated Property | |
| logPoct/wat | 4.399 | Crippen Calculated Property | |
| McVol | 251.180 | ml/mol | McGowan Calculated Property |
| Pc | 2726.86 | kPa | Joback Calculated Property |
| Inp | [2461.00; 2487.00] |
|
|
| Inp | 2461.00 | NIST | |
| Inp | 2470.00 | NIST | |
| Inp | 2487.00 | NIST | |
| Tboil | 948.80 | K | Joback Calculated Property |
| Tc | 1195.82 | K | Joback Calculated Property |
| Tfus | 599.23 | K | Joback Calculated Property |
| Vc | 0.921 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [687.16; 738.66] | J/mol×K | [948.80; 1195.82] |
|
| Cp,gas | 687.16 | J/mol×K | 948.80 | Joback Calculated Property |
| Cp,gas | 697.24 | J/mol×K | 989.97 | Joback Calculated Property |
| Cp,gas | 706.57 | J/mol×K | 1031.14 | Joback Calculated Property |
| Cp,gas | 715.26 | J/mol×K | 1072.31 | Joback Calculated Property |
| Cp,gas | 723.43 | J/mol×K | 1113.48 | Joback Calculated Property |
| Cp,gas | 731.19 | J/mol×K | 1154.65 | Joback Calculated Property |
| Cp,gas | 738.66 | J/mol×K | 1195.82 | Joback Calculated Property |
| η | [0.0000071; 0.0001371] | Pa×s | [599.23; 948.80] |
|
| η | 0.0001371 | Pa×s | 599.23 | Joback Calculated Property |
| η | 0.0000673 | Pa×s | 657.49 | Joback Calculated Property |
| η | 0.0000371 | Pa×s | 715.75 | Joback Calculated Property |
| η | 0.0000224 | Pa×s | 774.01 | Joback Calculated Property |
| η | 0.0000145 | Pa×s | 832.28 | Joback Calculated Property |
| η | 0.0000099 | Pa×s | 890.54 | Joback Calculated Property |
| η | 0.0000071 | Pa×s | 948.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bromopropylate.
Sources
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