- InChI
- InChI=1S/C21H31BrO5/c1-5-8-9-10-11-14-26-19(23)21(6-2,7-3)20(24)27-17-13-12-16(22)15-18(17)25-4/h12-13,15H,5-11,14H2,1-4H3
- InChI Key
- QWDVFMQFYJNLFO-UHFFFAOYSA-N
- Formula
- C21H31BrO5
- SMILES
-
CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1
ccc(Br)cc1OC - Molecular Weight1
- 443.37
- 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° | -336.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -867.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.80 | kJ/mol | Joback Calculated Property |
| log10WS | -6.71 | Crippen Calculated Property | |
| logPoct/wat | 5.683 | Crippen Calculated Property | |
| McVol | 321.240 | ml/mol | McGowan Calculated Property |
| Pc | 1303.29 | kPa | Joback Calculated Property |
| Inp | [2633.00; 2633.00] |
|
|
| Inp | 2633.00 | NIST | |
| Inp | 2633.00 | NIST | |
| Tboil | 954.45 | K | Joback Calculated Property |
| Tc | 1173.86 | K | Joback Calculated Property |
| Tfus | 606.66 | K | Joback Calculated Property |
| Vc | 1.220 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1004.99; 1070.49] | J/mol×K | [954.45; 1173.86] |
|
| Cp,gas | 1004.99 | J/mol×K | 954.45 | Joback Calculated Property |
| Cp,gas | 1018.97 | J/mol×K | 991.02 | Joback Calculated Property |
| Cp,gas | 1031.67 | J/mol×K | 1027.59 | Joback Calculated Property |
| Cp,gas | 1043.14 | J/mol×K | 1064.16 | Joback Calculated Property |
| Cp,gas | 1053.40 | J/mol×K | 1100.72 | Joback Calculated Property |
| Cp,gas | 1062.51 | J/mol×K | 1137.29 | Joback Calculated Property |
| Cp,gas | 1070.49 | J/mol×K | 1173.86 | Joback Calculated Property |
| η | [0.0000212; 0.0001848] | Pa×s | [606.66; 954.45] |
|
| η | 0.0001848 | Pa×s | 606.66 | Joback Calculated Property |
| η | 0.0001101 | Pa×s | 664.62 | Joback Calculated Property |
| η | 0.0000713 | Pa×s | 722.59 | Joback Calculated Property |
| η | 0.0000492 | Pa×s | 780.56 | Joback Calculated Property |
| η | 0.0000358 | Pa×s | 838.52 | Joback Calculated Property |
| η | 0.0000271 | Pa×s | 896.49 | Joback Calculated Property |
| η | 0.0000212 | Pa×s | 954.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-bromo-2-methoxyphenyl heptyl ester.
Sources
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