- InChI
- InChI=1S/C19H19BrO4/c1-2-3-4-12-23-18(21)14-6-5-7-15(13-14)19(22)24-17-10-8-16(20)9-11-17/h5-11,13H,2-4,12H2,1H3
- InChI Key
- LKIWRBZHQCSGQW-UHFFFAOYSA-N
- Formula
- C19H19BrO4
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)Oc2ccc(
Br)cc2)c1 - Molecular Weight1
- 391.26
- 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 | 0.9167 | Relay (1.0) Calculated Property | |
| ΔfG° | -138.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -569.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.015 | Crippen Calculated Property | |
| McVol | 263.430 | ml/mol | McGowan Calculated Property |
| Pc | 1977.07 | kPa | Joback Calculated Property |
| Inp | [2905.00; 2905.00] |
|
|
| Inp | 2905.00 | NIST | |
| Inp | 2905.00 | NIST | |
| Tboil | 677.29 | K | Relay (1.0) Calculated Property |
| Tc | 923.55 | K | Relay (1.0) Calculated Property |
| Tfus | 326.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.944 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [756.39; 810.93] | J/mol×K | [916.18; 1152.18] |
|
| Cp,gas | 756.39 | J/mol×K | 916.18 | Joback Calculated Property |
| Cp,gas | 768.42 | J/mol×K | 955.51 | Joback Calculated Property |
| Cp,gas | 779.21 | J/mol×K | 994.85 | Joback Calculated Property |
| Cp,gas | 788.81 | J/mol×K | 1034.18 | Joback Calculated Property |
| Cp,gas | 797.27 | J/mol×K | 1073.52 | Joback Calculated Property |
| Cp,gas | 804.63 | J/mol×K | 1112.85 | Joback Calculated Property |
| Cp,gas | 810.93 | J/mol×K | 1152.18 | Joback Calculated Property |
| η | [0.0000523; 0.0003492] | Pa×s | [585.89; 916.18] |
|
| η | 0.0003492 | Pa×s | 585.89 | Joback Calculated Property |
| η | 0.0002222 | Pa×s | 640.94 | Joback Calculated Property |
| η | 0.0001518 | Pa×s | 695.99 | Joback Calculated Property |
| η | 0.0001097 | Pa×s | 751.03 | Joback Calculated Property |
| η | 0.0000829 | Pa×s | 806.08 | Joback Calculated Property |
| η | 0.0000649 | Pa×s | 861.13 | Joback Calculated Property |
| η | 0.0000523 | Pa×s | 916.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-bromophenyl pentyl ester.
Sources
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