- InChI
- InChI=1S/C16H19BrO4/c1-2-20-15(18)13-5-3-4-6-14(13)16(19)21-12-9-7-11(17)8-10-12/h7-10,13-14H,2-6H2,1H3
- InChI Key
- KKEOENSCRNNBQG-UHFFFAOYSA-N
- Formula
- C16H19BrO4
- SMILES
-
CCOC(=O)C1CCCCC1C(=O)Oc1ccc(Br
)cc1 - Molecular Weight1
- 355.22
- 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° | -250.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -577.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.02 | kJ/mol | Joback Calculated Property |
| log10WS | -4.57 | Crippen Calculated Property | |
| logPoct/wat | 3.724 | Crippen Calculated Property | |
| McVol | 234.060 | ml/mol | McGowan Calculated Property |
| Pc | 2256.81 | kPa | Joback Calculated Property |
| Inp | [2357.00; 2357.00] |
|
|
| Inp | 2357.00 | NIST | |
| Inp | 2357.00 | NIST | |
| Tboil | 830.76 | K | Joback Calculated Property |
| Tc | 1069.90 | K | Joback Calculated Property |
| Tfus | 516.28 | K | Joback Calculated Property |
| Vc | 0.866 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [684.85; 753.89] | J/mol×K | [830.76; 1069.90] |
|
| Cp,gas | 684.85 | J/mol×K | 830.76 | Joback Calculated Property |
| Cp,gas | 700.02 | J/mol×K | 870.62 | Joback Calculated Property |
| Cp,gas | 713.69 | J/mol×K | 910.47 | Joback Calculated Property |
| Cp,gas | 725.89 | J/mol×K | 950.33 | Joback Calculated Property |
| Cp,gas | 736.63 | J/mol×K | 990.18 | Joback Calculated Property |
| Cp,gas | 745.96 | J/mol×K | 1030.04 | Joback Calculated Property |
| Cp,gas | 753.89 | J/mol×K | 1069.90 | Joback Calculated Property |
| η | [0.0001026; 0.0007412] | Pa×s | [516.28; 830.76] |
|
| η | 0.0007412 | Pa×s | 516.28 | Joback Calculated Property |
| η | 0.0004580 | Pa×s | 568.69 | Joback Calculated Property |
| η | 0.0003069 | Pa×s | 621.11 | Joback Calculated Property |
| η | 0.0002189 | Pa×s | 673.52 | Joback Calculated Property |
| η | 0.0001640 | Pa×s | 725.93 | Joback Calculated Property |
| η | 0.0001277 | Pa×s | 778.35 | Joback Calculated Property |
| η | 0.0001026 | Pa×s | 830.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl ethyl ester.
Sources
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