- InChI
- InChI=1S/C18H19BrO3/c19-13-5-4-8-18(20)22-17-11-9-16(10-12-17)21-14-15-6-2-1-3-7-15/h1-3,6-7,9-12H,4-5,8,13-14H2
- InChI Key
- GNHFCKXWBUOWRM-UHFFFAOYSA-N
- Formula
- C18H19BrO3
- SMILES
-
O=C(CCCCBr)Oc1ccc(OCc2ccccc2)c
c1 - Molecular Weight1
- 363.25
- 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° | -8.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -303.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.88 | kJ/mol | Joback Calculated Property |
| log10WS | -5.70 | Crippen Calculated Property | |
| logPoct/wat | 4.736 | Crippen Calculated Property | |
| McVol | 247.770 | ml/mol | McGowan Calculated Property |
| Pc | 2064.24 | kPa | Joback Calculated Property |
| Inp | [2679.00; 2679.00] |
|
|
| Inp | 2679.00 | NIST | |
| Inp | 2679.00 | NIST | |
| Tboil | 834.45 | K | Joback Calculated Property |
| Tc | 1066.99 | K | Joback Calculated Property |
| Tfus | 512.17 | K | Joback Calculated Property |
| Vc | 0.931 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [691.21; 758.27] | J/mol×K | [834.45; 1066.99] |
|
| Cp,gas | 691.21 | J/mol×K | 834.45 | Joback Calculated Property |
| Cp,gas | 705.25 | J/mol×K | 873.21 | Joback Calculated Property |
| Cp,gas | 718.07 | J/mol×K | 911.96 | Joback Calculated Property |
| Cp,gas | 729.73 | J/mol×K | 950.72 | Joback Calculated Property |
| Cp,gas | 740.28 | J/mol×K | 989.48 | Joback Calculated Property |
| Cp,gas | 749.78 | J/mol×K | 1028.23 | Joback Calculated Property |
| Cp,gas | 758.27 | J/mol×K | 1066.99 | Joback Calculated Property |
| η | [0.0000617; 0.0005082] | Pa×s | [512.17; 834.45] |
|
| η | 0.0005082 | Pa×s | 512.17 | Joback Calculated Property |
| η | 0.0003027 | Pa×s | 565.88 | Joback Calculated Property |
| η | 0.0001972 | Pa×s | 619.60 | Joback Calculated Property |
| η | 0.0001376 | Pa×s | 673.31 | Joback Calculated Property |
| η | 0.0001012 | Pa×s | 727.02 | Joback Calculated Property |
| η | 0.0000777 | Pa×s | 780.74 | Joback Calculated Property |
| η | 0.0000617 | Pa×s | 834.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromovaleric acid, 4-benzyloxyphenyl ester.
Sources
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