- InChI
- InChI=1S/C18H25BrO4/c1-5-18(6-2,16(20)22-11-13(3)4)17(21)23-12-14-7-9-15(19)10-8-14/h7-10,13H,5-6,11-12H2,1-4H3
- InChI Key
- ACGXGDSSMKVNNQ-UHFFFAOYSA-N
- Formula
- C18H25BrO4
- SMILES
-
CCC(CC)(C(=O)OCc1ccc(Br)cc1)C(
=O)OCC(C)C - Molecular Weight1
- 385.29
- 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° | -249.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -667.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.66 | kJ/mol | Joback Calculated Property |
| log10WS | -5.36 | Crippen Calculated Property | |
| logPoct/wat | 4.498 | Crippen Calculated Property | |
| McVol | 273.100 | ml/mol | McGowan Calculated Property |
| Pc | 1676.91 | kPa | Joback Calculated Property |
| Inp | [2235.00; 2235.00] |
|
|
| Inp | 2235.00 | NIST | |
| Inp | 2235.00 | NIST | |
| Tboil | 857.97 | K | Joback Calculated Property |
| Tc | 1077.41 | K | Joback Calculated Property |
| Tfus | 523.10 | K | Joback Calculated Property |
| Vc | 1.028 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [802.91; 873.19] | J/mol×K | [857.97; 1077.41] |
|
| Cp,gas | 802.91 | J/mol×K | 857.97 | Joback Calculated Property |
| Cp,gas | 817.25 | J/mol×K | 894.54 | Joback Calculated Property |
| Cp,gas | 830.48 | J/mol×K | 931.12 | Joback Calculated Property |
| Cp,gas | 842.63 | J/mol×K | 967.69 | Joback Calculated Property |
| Cp,gas | 853.76 | J/mol×K | 1004.26 | Joback Calculated Property |
| Cp,gas | 863.93 | J/mol×K | 1040.83 | Joback Calculated Property |
| Cp,gas | 873.19 | J/mol×K | 1077.41 | Joback Calculated Property |
| η | [0.0000415; 0.0004828] | Pa×s | [523.10; 857.97] |
|
| η | 0.0004828 | Pa×s | 523.10 | Joback Calculated Property |
| η | 0.0002634 | Pa×s | 578.91 | Joback Calculated Property |
| η | 0.0001599 | Pa×s | 634.72 | Joback Calculated Property |
| η | 0.0001052 | Pa×s | 690.53 | Joback Calculated Property |
| η | 0.0000737 | Pa×s | 746.35 | Joback Calculated Property |
| η | 0.0000542 | Pa×s | 802.16 | Joback Calculated Property |
| η | 0.0000415 | Pa×s | 857.97 | Joback Calculated Property |
Similar Compounds
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Sources
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