- InChI
- InChI=1S/C22H33BrO5/c1-4-5-6-7-8-9-11-17(2)27-21(24)12-10-13-22(25)28-19-15-14-18(23)16-20(19)26-3/h14-17H,4-13H2,1-3H3
- InChI Key
- WNMLUGRWOIXZDU-UHFFFAOYSA-N
- Formula
- C22H33BrO5
- SMILES
-
CCCCCCCCC(C)OC(=O)CCCC(=O)Oc1c
cc(Br)cc1OC - Molecular Weight1
- 457.40
- 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° | -333.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -884.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.93 | kJ/mol | Joback Calculated Property |
| log10WS | -7.48 | Crippen Calculated Property | |
| logPoct/wat | 6.216 | Crippen Calculated Property | |
| McVol | 335.330 | ml/mol | McGowan Calculated Property |
| Pc | 1208.15 | kPa | Joback Calculated Property |
| Inp | [2930.00; 2930.00] |
|
|
| Inp | 2930.00 | NIST | |
| Inp | 2930.00 | NIST | |
| Tboil | 980.12 | K | Joback Calculated Property |
| Tc | 1201.06 | K | Joback Calculated Property |
| Tfus | 600.51 | K | Joback Calculated Property |
| Vc | 1.282 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1065.14; 1127.60] | J/mol×K | [980.12; 1201.06] |
|
| Cp,gas | 1065.14 | J/mol×K | 980.12 | Joback Calculated Property |
| Cp,gas | 1079.12 | J/mol×K | 1016.94 | Joback Calculated Property |
| Cp,gas | 1091.64 | J/mol×K | 1053.77 | Joback Calculated Property |
| Cp,gas | 1102.73 | J/mol×K | 1090.59 | Joback Calculated Property |
| Cp,gas | 1112.40 | J/mol×K | 1127.41 | Joback Calculated Property |
| Cp,gas | 1120.69 | J/mol×K | 1164.24 | Joback Calculated Property |
| Cp,gas | 1127.60 | J/mol×K | 1201.06 | Joback Calculated Property |
| η | [0.0000217; 0.0002068] | Pa×s | [600.51; 980.12] |
|
| η | 0.0002068 | Pa×s | 600.51 | Joback Calculated Property |
| η | 0.0001188 | Pa×s | 663.78 | Joback Calculated Property |
| η | 0.0000751 | Pa×s | 727.05 | Joback Calculated Property |
| η | 0.0000511 | Pa×s | 790.31 | Joback Calculated Property |
| η | 0.0000368 | Pa×s | 853.58 | Joback Calculated Property |
| η | 0.0000278 | Pa×s | 916.85 | Joback Calculated Property |
| η | 0.0000217 | Pa×s | 980.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dec-2-yl 4-bromo-2-methoxyphenyl ester.
Sources
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