- InChI
- InChI=1S/C18H23BrO5/c1-22-16-11-14(19)7-8-15(16)24-18(21)10-9-17(20)23-12-13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,12H2,1H3
- InChI Key
- KQEFSTWKYXEOPU-UHFFFAOYSA-N
- Formula
- C18H23BrO5
- SMILES
-
COc1cc(Br)ccc1OC(=O)CCC(=O)OCC
1CCCCC1 - Molecular Weight1
- 399.28
- 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° | -340.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -742.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.85 | kJ/mol | Joback Calculated Property |
| log10WS | -5.35 | Crippen Calculated Property | |
| logPoct/wat | 4.267 | Crippen Calculated Property | |
| McVol | 268.110 | ml/mol | McGowan Calculated Property |
| Pc | 1896.95 | kPa | Joback Calculated Property |
| Inp | [2804.00; 2804.00] |
|
|
| Inp | 2804.00 | NIST | |
| Inp | 2804.00 | NIST | |
| Tboil | 908.59 | K | Joback Calculated Property |
| Tc | 1140.65 | K | Joback Calculated Property |
| Tfus | 577.81 | K | Joback Calculated Property |
| Vc | 0.997 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [820.99; 880.54] | J/mol×K | [908.59; 1140.65] |
|
| Cp,gas | 820.99 | J/mol×K | 908.59 | Joback Calculated Property |
| Cp,gas | 834.77 | J/mol×K | 947.27 | Joback Calculated Property |
| Cp,gas | 846.99 | J/mol×K | 985.94 | Joback Calculated Property |
| Cp,gas | 857.66 | J/mol×K | 1024.62 | Joback Calculated Property |
| Cp,gas | 866.80 | J/mol×K | 1063.29 | Joback Calculated Property |
| Cp,gas | 874.42 | J/mol×K | 1101.97 | Joback Calculated Property |
| Cp,gas | 880.54 | J/mol×K | 1140.65 | Joback Calculated Property |
| η | [0.0000451; 0.0003394] | Pa×s | [577.81; 908.59] |
|
| η | 0.0003394 | Pa×s | 577.81 | Joback Calculated Property |
| η | 0.0002094 | Pa×s | 632.94 | Joback Calculated Property |
| η | 0.0001396 | Pa×s | 688.07 | Joback Calculated Property |
| η | 0.0000988 | Pa×s | 743.20 | Joback Calculated Property |
| η | 0.0000734 | Pa×s | 798.33 | Joback Calculated Property |
| η | 0.0000566 | Pa×s | 853.46 | Joback Calculated Property |
| η | 0.0000451 | Pa×s | 908.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, cyclohexylmethyl 4-bromo-2-methoxyphenyl ester.
Sources
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