- InChI
- InChI=1S/C13H17BrO3/c1-4-9(5-2)13(15)17-11-7-6-10(14)8-12(11)16-3/h6-9H,4-5H2,1-3H3
- InChI Key
- DJJDARBLXWGICA-UHFFFAOYSA-N
- Formula
- C13H17BrO3
- SMILES
- CCC(CC)C(=O)Oc1ccc(Br)cc1OC
- Molecular Weight1
- 301.18
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6711 | Relay (1.0) Calculated Property | |
| ΔfG° | -175.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -496.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.799 | Crippen Calculated Property | |
| McVol | 201.080 | ml/mol | McGowan Calculated Property |
| Pc | 2358.78 | kPa | Joback Calculated Property |
| Inp | 1838.00 | NIST | |
| Tboil | 579.20 | K | Relay (1.0) Calculated Property |
| Tc | 799.10 | K | Relay (1.0) Calculated Property |
| Tfus | 320.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.701 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [509.91; 581.55] | J/mol×K | [697.91; 915.61] | 
|
| Cp,gas | 509.91 | J/mol×K | 697.91 | Joback Calculated Property |
| Cp,gas | 524.05 | J/mol×K | 734.19 | Joback Calculated Property |
| Cp,gas | 537.29 | J/mol×K | 770.48 | Joback Calculated Property |
| Cp,gas | 549.66 | J/mol×K | 806.76 | Joback Calculated Property |
| Cp,gas | 561.15 | J/mol×K | 843.04 | Joback Calculated Property |
| Cp,gas | 571.78 | J/mol×K | 879.32 | Joback Calculated Property |
| Cp,gas | 581.55 | J/mol×K | 915.61 | Joback Calculated Property |
| η | [0.0001086; 0.0008627] | Pa×s | [426.92; 697.91] |
|
| η | 0.0008627 | Pa×s | 426.92 | Joback Calculated Property |
| η | 0.0005177 | Pa×s | 472.09 | Joback Calculated Property |
| η | 0.0003397 | Pa×s | 517.25 | Joback Calculated Property |
| η | 0.0002385 | Pa×s | 562.41 | Joback Calculated Property |
| η | 0.0001765 | Pa×s | 607.58 | Joback Calculated Property |
| η | 0.0001361 | Pa×s | 652.75 | Joback Calculated Property |
| η | 0.0001086 | Pa×s | 697.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylbutyric acid, 4-bromo-2-methoxyphenyl ester.
Sources
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