- InChI
- InChI=1S/C22H19BrO4/c23-19-10-12-20(13-11-19)27-22(25)7-3-6-21(24)26-15-16-8-9-17-4-1-2-5-18(17)14-16/h1-2,4-5,8-14H,3,6-7,15H2
- InChI Key
- MOZGBRKTMIELML-UHFFFAOYSA-N
- Formula
- C22H19BrO4
- SMILES
-
O=C(CCCC(=O)Oc1ccc(Br)cc1)OCc1
ccc2ccccc2c1 - Molecular Weight1
- 427.29
- 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° | -6.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -319.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.83 | kJ/mol | Joback Calculated Property |
| log10WS | -7.40 | Crippen Calculated Property | |
| logPoct/wat | 5.421 | Crippen Calculated Property | |
| McVol | 286.240 | ml/mol | McGowan Calculated Property |
| Pc | 1903.58 | kPa | Joback Calculated Property |
| Inp | 3422.00 | NIST | |
| Tboil | 1003.80 | K | Joback Calculated Property |
| Tc | 1251.86 | K | Joback Calculated Property |
| Tfus | 652.40 | K | Joback Calculated Property |
| Vc | 1.083 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [845.61; 899.56] | J/mol×K | [1003.80; 1251.86] | 
|
| Cp,gas | 845.61 | J/mol×K | 1003.80 | Joback Calculated Property |
| Cp,gas | 856.82 | J/mol×K | 1045.14 | Joback Calculated Property |
| Cp,gas | 867.01 | J/mol×K | 1086.49 | Joback Calculated Property |
| Cp,gas | 876.28 | J/mol×K | 1127.83 | Joback Calculated Property |
| Cp,gas | 884.73 | J/mol×K | 1169.17 | Joback Calculated Property |
| Cp,gas | 892.45 | J/mol×K | 1210.51 | Joback Calculated Property |
| Cp,gas | 899.56 | J/mol×K | 1251.86 | Joback Calculated Property |
| η | [0.0000709; 0.0003683] | Pa×s | [652.40; 1003.80] |
|
| η | 0.0003683 | Pa×s | 652.40 | Joback Calculated Property |
| η | 0.0002499 | Pa×s | 710.97 | Joback Calculated Property |
| η | 0.0001799 | Pa×s | 769.53 | Joback Calculated Property |
| η | 0.0001357 | Pa×s | 828.10 | Joback Calculated Property |
| η | 0.0001062 | Pa×s | 886.67 | Joback Calculated Property |
| η | 0.0000857 | Pa×s | 945.23 | Joback Calculated Property |
| η | 0.0000709 | Pa×s | 1003.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, naphth-2-ylmethyl 4-bromophenyl ester.
Sources
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