- InChI
- InChI=1S/C22H33BrO4/c1-2-3-4-5-6-7-8-11-17-26-21(24)15-12-16-22(25)27-18-19-13-9-10-14-20(19)23/h9-10,13-14H,2-8,11-12,15-18H2,1H3
- InChI Key
- YYAPTKUOPWSECN-UHFFFAOYSA-N
- Formula
- C22H33BrO4
- SMILES
-
CCCCCCCCCCOC(=O)CCCC(=O)OCc1cc
ccc1Br - Molecular Weight1
- 441.40
- 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° | -216.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -735.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.25 | kJ/mol | Joback Calculated Property |
| log10WS | -7.52 | Crippen Calculated Property | |
| logPoct/wat | 6.346 | Crippen Calculated Property | |
| McVol | 329.460 | ml/mol | McGowan Calculated Property |
| Pc | 1228.56 | kPa | Joback Calculated Property |
| Inp | [2975.00; 2975.00] |
|
|
| Inp | 2975.00 | NIST | |
| Inp | 2975.00 | NIST | |
| Tboil | 953.16 | K | Joback Calculated Property |
| Tc | 1169.05 | K | Joback Calculated Property |
| Tfus | 580.76 | K | Joback Calculated Property |
| Vc | 1.270 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1037.74; 1109.23] | J/mol×K | [953.16; 1169.05] |
|
| Cp,gas | 1037.74 | J/mol×K | 953.16 | Joback Calculated Property |
| Cp,gas | 1052.63 | J/mol×K | 989.14 | Joback Calculated Property |
| Cp,gas | 1066.27 | J/mol×K | 1025.12 | Joback Calculated Property |
| Cp,gas | 1078.70 | J/mol×K | 1061.10 | Joback Calculated Property |
| Cp,gas | 1089.98 | J/mol×K | 1097.08 | Joback Calculated Property |
| Cp,gas | 1100.14 | J/mol×K | 1133.06 | Joback Calculated Property |
| Cp,gas | 1109.23 | J/mol×K | 1169.05 | Joback Calculated Property |
| η | [0.0000317; 0.0003088] | Pa×s | [580.76; 953.16] |
|
| η | 0.0003088 | Pa×s | 580.76 | Joback Calculated Property |
| η | 0.0001759 | Pa×s | 642.83 | Joback Calculated Property |
| η | 0.0001106 | Pa×s | 704.89 | Joback Calculated Property |
| η | 0.0000750 | Pa×s | 766.96 | Joback Calculated Property |
| η | 0.0000539 | Pa×s | 829.03 | Joback Calculated Property |
| η | 0.0000406 | Pa×s | 891.09 | Joback Calculated Property |
| η | 0.0000317 | Pa×s | 953.16 | Joback Calculated Property |
Similar Compounds
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Sources
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