- InChI
- InChI=1S/C17H17BrO3/c18-12-4-7-17(19)21-16-10-8-15(9-11-16)20-13-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13H2
- InChI Key
- NDYIZAFRVHKCHC-UHFFFAOYSA-N
- Formula
- C17H17BrO3
- SMILES
-
O=C(CCCBr)Oc1ccc(OCc2ccccc2)cc
1 - Molecular Weight1
- 349.22
- 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° | -17.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -283.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.65 | kJ/mol | Joback Calculated Property |
| log10WS | -5.28 | Crippen Calculated Property | |
| logPoct/wat | 4.346 | Crippen Calculated Property | |
| McVol | 233.680 | ml/mol | McGowan Calculated Property |
| Pc | 2256.81 | kPa | Joback Calculated Property |
| Inp | [2568.00; 2568.00] |
|
|
| Inp | 2568.00 | NIST | |
| Inp | 2568.00 | NIST | |
| Tboil | 811.57 | K | Joback Calculated Property |
| Tc | 1047.65 | K | Joback Calculated Property |
| Tfus | 500.90 | K | Joback Calculated Property |
| Vc | 0.875 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [635.62; 701.56] | J/mol×K | [811.57; 1047.65] |
|
| Cp,gas | 635.62 | J/mol×K | 811.57 | Joback Calculated Property |
| Cp,gas | 649.46 | J/mol×K | 850.92 | Joback Calculated Property |
| Cp,gas | 662.09 | J/mol×K | 890.26 | Joback Calculated Property |
| Cp,gas | 673.57 | J/mol×K | 929.61 | Joback Calculated Property |
| Cp,gas | 683.94 | J/mol×K | 968.96 | Joback Calculated Property |
| Cp,gas | 693.25 | J/mol×K | 1008.30 | Joback Calculated Property |
| Cp,gas | 701.56 | J/mol×K | 1047.65 | Joback Calculated Property |
| η | [0.0000708; 0.0005585] | Pa×s | [500.90; 811.57] |
|
| η | 0.0005585 | Pa×s | 500.90 | Joback Calculated Property |
| η | 0.0003370 | Pa×s | 552.68 | Joback Calculated Property |
| η | 0.0002217 | Pa×s | 604.46 | Joback Calculated Property |
| η | 0.0001558 | Pa×s | 656.24 | Joback Calculated Property |
| η | 0.0001153 | Pa×s | 708.01 | Joback Calculated Property |
| η | 0.0000889 | Pa×s | 759.79 | Joback Calculated Property |
| η | 0.0000708 | Pa×s | 811.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromobutyric acid, 4-benzyloxyphenyl ester.
Sources
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