- InChI
- InChI=1S/C14H13BrO2/c15-9-3-6-14(16)17-13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10H,3,6,9H2
- InChI Key
- WROMMFRWIWBKCJ-UHFFFAOYSA-N
- Formula
- C14H13BrO2
- SMILES
- O=C(CCCBr)Oc1ccc2ccccc2c1
- Molecular Weight1
- 293.16
- 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° | 56.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -134.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.93 | kJ/mol | Joback Calculated Property |
| log10WS | -4.86 | Crippen Calculated Property | |
| logPoct/wat | 3.920 | Crippen Calculated Property | |
| McVol | 189.840 | ml/mol | McGowan Calculated Property |
| Pc | 2811.36 | kPa | Joback Calculated Property |
| Inp | [2156.00; 2156.00] |
|
|
| Inp | 2156.00 | NIST | |
| Inp | 2156.00 | NIST | |
| Tboil | 712.81 | K | Joback Calculated Property |
| Tc | 949.71 | K | Joback Calculated Property |
| Tfus | 451.14 | K | Joback Calculated Property |
| Vc | 0.720 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [470.43; 535.36] | J/mol×K | [712.81; 949.71] |
|
| Cp,gas | 470.43 | J/mol×K | 712.81 | Joback Calculated Property |
| Cp,gas | 483.43 | J/mol×K | 752.29 | Joback Calculated Property |
| Cp,gas | 495.46 | J/mol×K | 791.78 | Joback Calculated Property |
| Cp,gas | 506.59 | J/mol×K | 831.26 | Joback Calculated Property |
| Cp,gas | 516.90 | J/mol×K | 870.75 | Joback Calculated Property |
| Cp,gas | 526.46 | J/mol×K | 910.23 | Joback Calculated Property |
| Cp,gas | 535.36 | J/mol×K | 949.71 | Joback Calculated Property |
| η | [0.0002456; 0.0012166] | Pa×s | [451.14; 712.81] |
|
| η | 0.0012166 | Pa×s | 451.14 | Joback Calculated Property |
| η | 0.0008285 | Pa×s | 494.75 | Joback Calculated Property |
| η | 0.0006004 | Pa×s | 538.36 | Joback Calculated Property |
| η | 0.0004567 | Pa×s | 581.98 | Joback Calculated Property |
| η | 0.0003608 | Pa×s | 625.59 | Joback Calculated Property |
| η | 0.0002940 | Pa×s | 669.20 | Joback Calculated Property |
| η | 0.0002456 | Pa×s | 712.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromobutyric acid, 2-naphthyl ester.
Sources
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