- InChI
- InChI=1S/C18H25BrO4/c1-2-3-4-5-8-13-22-17(20)11-12-18(21)23-14-15-9-6-7-10-16(15)19/h6-7,9-10H,2-5,8,11-14H2,1H3
- InChI Key
- AIMITBLDVCWNTB-UHFFFAOYSA-N
- Formula
- C18H25BrO4
- SMILES
-
CCCCCCCOC(=O)CCC(=O)OCc1ccccc1
Br - Molecular Weight1
- 385.29
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9075 | Relay (1.0) Calculated Property | |
| ΔfG° | -250.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -759.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.786 | Crippen Calculated Property | |
| McVol | 273.100 | ml/mol | McGowan Calculated Property |
| Pc | 1640.43 | kPa | Joback Calculated Property |
| Inp | [2527.00; 2527.00] |
|
|
| Inp | 2527.00 | NIST | |
| Inp | 2527.00 | NIST | |
| Tboil | 649.29 | K | Relay (1.0) Calculated Property |
| Tc | 840.75 | K | Relay (1.0) Calculated Property |
| Tfus | 294.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.999 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [801.28; 869.92] | J/mol×K | [861.64; 1071.94] |
|
| Cp,gas | 801.28 | J/mol×K | 861.64 | Joback Calculated Property |
| Cp,gas | 815.30 | J/mol×K | 896.69 | Joback Calculated Property |
| Cp,gas | 828.25 | J/mol×K | 931.74 | Joback Calculated Property |
| Cp,gas | 840.16 | J/mol×K | 966.79 | Joback Calculated Property |
| Cp,gas | 851.06 | J/mol×K | 1001.84 | Joback Calculated Property |
| Cp,gas | 860.97 | J/mol×K | 1036.89 | Joback Calculated Property |
| Cp,gas | 869.92 | J/mol×K | 1071.94 | Joback Calculated Property |
| η | [0.0000577; 0.0004832] | Pa×s | [535.68; 861.64] |
|
| η | 0.0004832 | Pa×s | 535.68 | Joback Calculated Property |
| η | 0.0002881 | Pa×s | 590.01 | Joback Calculated Property |
| η | 0.0001874 | Pa×s | 644.33 | Joback Calculated Property |
| η | 0.0001303 | Pa×s | 698.66 | Joback Calculated Property |
| η | 0.0000955 | Pa×s | 752.99 | Joback Calculated Property |
| η | 0.0000730 | Pa×s | 807.31 | Joback Calculated Property |
| η | 0.0000577 | Pa×s | 861.64 | Joback Calculated Property |
Similar Compounds
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Sources
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