- InChI
- InChI=1S/C18H17BrO4/c1-12(2)11-22-17(20)13-4-3-5-14(10-13)18(21)23-16-8-6-15(19)7-9-16/h3-10,12H,11H2,1-2H3
- InChI Key
- AXKXFYADOWXRFP-UHFFFAOYSA-N
- Formula
- C18H17BrO4
- SMILES
-
CC(C)COC(=O)c1cccc(C(=O)Oc2ccc
(Br)cc2)c1 - Molecular Weight1
- 377.23
- 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° | -149.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -433.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.90 | kJ/mol | Joback Calculated Property |
| log10WS | -5.98 | Crippen Calculated Property | |
| logPoct/wat | 4.481 | Crippen Calculated Property | |
| McVol | 249.340 | ml/mol | McGowan Calculated Property |
| Pc | 2173.43 | kPa | Joback Calculated Property |
| Inp | 2745.00 | NIST | |
| Tboil | 892.86 | K | Joback Calculated Property |
| Tc | 1134.84 | K | Joback Calculated Property |
| Tfus | 559.62 | K | Joback Calculated Property |
| Vc | 0.931 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [700.34; 754.23] | J/mol×K | [892.86; 1134.84] | 
|
| Cp,gas | 700.34 | J/mol×K | 892.86 | Joback Calculated Property |
| Cp,gas | 712.35 | J/mol×K | 933.19 | Joback Calculated Property |
| Cp,gas | 723.10 | J/mol×K | 973.52 | Joback Calculated Property |
| Cp,gas | 732.61 | J/mol×K | 1013.85 | Joback Calculated Property |
| Cp,gas | 740.95 | J/mol×K | 1054.18 | Joback Calculated Property |
| Cp,gas | 748.14 | J/mol×K | 1094.51 | Joback Calculated Property |
| Cp,gas | 754.23 | J/mol×K | 1134.84 | Joback Calculated Property |
| η | [0.0000552; 0.0004160] | Pa×s | [559.62; 892.86] |
|
| η | 0.0004160 | Pa×s | 559.62 | Joback Calculated Property |
| η | 0.0002552 | Pa×s | 615.16 | Joback Calculated Property |
| η | 0.0001697 | Pa×s | 670.70 | Joback Calculated Property |
| η | 0.0001202 | Pa×s | 726.24 | Joback Calculated Property |
| η | 0.0000894 | Pa×s | 781.78 | Joback Calculated Property |
| η | 0.0000691 | Pa×s | 837.32 | Joback Calculated Property |
| η | 0.0000552 | Pa×s | 892.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-bromophenyl isobutyl ester.
Sources
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