- InChI
- InChI=1S/C18H23BrO4/c19-15-9-11-16(12-10-15)23-18(21)8-4-7-17(20)22-13-14-5-2-1-3-6-14/h9-12,14H,1-8,13H2
- InChI Key
- AYQGJYGOZMWWGO-UHFFFAOYSA-N
- Formula
- C18H23BrO4
- SMILES
-
O=C(CCCC(=O)Oc1ccc(Br)cc1)OCC1
CCCCC1 - Molecular Weight1
- 383.28
- 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° | -225.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -598.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.78 | kJ/mol | Joback Calculated Property |
| log10WS | -5.65 | Crippen Calculated Property | |
| logPoct/wat | 4.648 | Crippen Calculated Property | |
| McVol | 262.240 | ml/mol | McGowan Calculated Property |
| Pc | 1950.95 | kPa | Joback Calculated Property |
| Inp | [2723.00; 2723.00] |
|
|
| Inp | 2723.00 | NIST | |
| Inp | 2723.00 | NIST | |
| Tboil | 881.19 | K | Joback Calculated Property |
| Tc | 1113.91 | K | Joback Calculated Property |
| Tfus | 543.06 | K | Joback Calculated Property |
| Vc | 0.979 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [794.88; 862.57] | J/mol×K | [881.19; 1113.91] |
|
| Cp,gas | 794.88 | J/mol×K | 881.19 | Joback Calculated Property |
| Cp,gas | 809.65 | J/mol×K | 919.98 | Joback Calculated Property |
| Cp,gas | 822.97 | J/mol×K | 958.76 | Joback Calculated Property |
| Cp,gas | 834.88 | J/mol×K | 997.55 | Joback Calculated Property |
| Cp,gas | 845.42 | J/mol×K | 1036.34 | Joback Calculated Property |
| Cp,gas | 854.64 | J/mol×K | 1075.12 | Joback Calculated Property |
| Cp,gas | 862.57 | J/mol×K | 1113.91 | Joback Calculated Property |
| η | [0.0000597; 0.0005460] | Pa×s | [543.06; 881.19] |
|
| η | 0.0005460 | Pa×s | 543.06 | Joback Calculated Property |
| η | 0.0003174 | Pa×s | 599.41 | Joback Calculated Property |
| η | 0.0002026 | Pa×s | 655.77 | Joback Calculated Property |
| η | 0.0001388 | Pa×s | 712.12 | Joback Calculated Property |
| η | 0.0001005 | Pa×s | 768.48 | Joback Calculated Property |
| η | 0.0000761 | Pa×s | 824.83 | Joback Calculated Property |
| η | 0.0000597 | Pa×s | 881.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclohexylmethyl 4-bromophenyl ester.
Sources
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