- InChI
- InChI=1S/C18H23BrO4/c1-2-3-12-22-17(20)15-6-4-5-7-16(15)18(21)23-14-10-8-13(19)9-11-14/h8-11,15-16H,2-7,12H2,1H3
- InChI Key
- JIHVSMPVLFOEED-UHFFFAOYSA-N
- Formula
- C18H23BrO4
- SMILES
-
CCCCOC(=O)C1CCCCC1C(=O)Oc1ccc(
Br)cc1 - Molecular Weight1
- 383.28
- 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° | -233.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -619.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.47 | kJ/mol | Joback Calculated Property |
| log10WS | -5.41 | Crippen Calculated Property | |
| logPoct/wat | 4.504 | Crippen Calculated Property | |
| McVol | 262.240 | ml/mol | McGowan Calculated Property |
| Pc | 1895.30 | kPa | Joback Calculated Property |
| Inp | 2545.00 | NIST | |
| Tboil | 876.52 | K | Joback Calculated Property |
| Tc | 1109.19 | K | Joback Calculated Property |
| Tfus | 538.82 | K | Joback Calculated Property |
| Vc | 0.978 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [799.30; 867.92] | J/mol×K | [876.52; 1109.19] | 
|
| Cp,gas | 799.30 | J/mol×K | 876.52 | Joback Calculated Property |
| Cp,gas | 814.43 | J/mol×K | 915.30 | Joback Calculated Property |
| Cp,gas | 828.05 | J/mol×K | 954.08 | Joback Calculated Property |
| Cp,gas | 840.17 | J/mol×K | 992.85 | Joback Calculated Property |
| Cp,gas | 850.83 | J/mol×K | 1031.63 | Joback Calculated Property |
| Cp,gas | 860.07 | J/mol×K | 1070.41 | Joback Calculated Property |
| Cp,gas | 867.92 | J/mol×K | 1109.19 | Joback Calculated Property |
| η | [0.0000778; 0.0006124] | Pa×s | [538.82; 876.52] |
|
| η | 0.0006124 | Pa×s | 538.82 | Joback Calculated Property |
| η | 0.0003690 | Pa×s | 595.10 | Joback Calculated Property |
| η | 0.0002427 | Pa×s | 651.39 | Joback Calculated Property |
| η | 0.0001706 | Pa×s | 707.67 | Joback Calculated Property |
| η | 0.0001264 | Pa×s | 763.95 | Joback Calculated Property |
| η | 0.0000975 | Pa×s | 820.24 | Joback Calculated Property |
| η | 0.0000778 | Pa×s | 876.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl butyl ester.
Sources
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