- InChI
- InChI=1S/C16H15BrO3/c1-12(17)16(18)20-15-9-7-14(8-10-15)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
- InChI Key
- YUOYIAWWHSMJSH-UHFFFAOYSA-N
- Formula
- C16H15BrO3
- SMILES
-
CC(Br)C(=O)Oc1ccc(OCc2ccccc2)c
c1 - Molecular Weight1
- 335.19
- 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° | -28.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -267.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.04 | kJ/mol | Joback Calculated Property |
| log10WS | -4.98 | Crippen Calculated Property | |
| logPoct/wat | 3.954 | Crippen Calculated Property | |
| McVol | 219.590 | ml/mol | McGowan Calculated Property |
| Pc | 2497.50 | kPa | Joback Calculated Property |
| Inp | [2309.00; 2309.00] |
|
|
| Inp | 2309.00 | NIST | |
| Inp | 2309.00 | NIST | |
| Tboil | 788.25 | K | Joback Calculated Property |
| Tc | 1032.80 | K | Joback Calculated Property |
| Tfus | 474.63 | K | Joback Calculated Property |
| Vc | 0.814 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [581.58; 646.72] | J/mol×K | [788.25; 1032.80] |
|
| Cp,gas | 581.58 | J/mol×K | 788.25 | Joback Calculated Property |
| Cp,gas | 595.41 | J/mol×K | 829.01 | Joback Calculated Property |
| Cp,gas | 607.98 | J/mol×K | 869.77 | Joback Calculated Property |
| Cp,gas | 619.35 | J/mol×K | 910.53 | Joback Calculated Property |
| Cp,gas | 629.56 | J/mol×K | 951.29 | Joback Calculated Property |
| Cp,gas | 638.67 | J/mol×K | 992.04 | Joback Calculated Property |
| Cp,gas | 646.72 | J/mol×K | 1032.80 | Joback Calculated Property |
| η | [0.0000745; 0.0006848] | Pa×s | [474.63; 788.25] |
|
| η | 0.0006848 | Pa×s | 474.63 | Joback Calculated Property |
| η | 0.0003939 | Pa×s | 526.90 | Joback Calculated Property |
| η | 0.0002504 | Pa×s | 579.17 | Joback Calculated Property |
| η | 0.0001716 | Pa×s | 631.44 | Joback Calculated Property |
| η | 0.0001245 | Pa×s | 683.71 | Joback Calculated Property |
| η | 0.0000946 | Pa×s | 735.98 | Joback Calculated Property |
| η | 0.0000745 | Pa×s | 788.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromopropionic acid, 4-benzyloxyphenyl ester.
Sources
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