- InChI
- InChI=1S/C21H31BrO4/c1-4-7-8-9-10-11-16-25-19(23)21(5-2,6-3)20(24)26-18-14-12-17(22)13-15-18/h12-15H,4-11,16H2,1-3H3
- InChI Key
- IDYDIWDKIOFCIL-UHFFFAOYSA-N
- Formula
- C21H31BrO4
- SMILES
-
CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc
1ccc(Br)cc1 - Molecular Weight1
- 427.37
- 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 | 0.9312 | Relay (1.0) Calculated Property | |
| ΔfG° | -221.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -819.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.065 | Crippen Calculated Property | |
| McVol | 315.370 | ml/mol | McGowan Calculated Property |
| Pc | 1333.93 | kPa | Joback Calculated Property |
| Inp | [2576.00; 2576.00] |
|
|
| Inp | 2576.00 | NIST | |
| Inp | 2576.00 | NIST | |
| Tboil | 659.69 | K | Relay (1.0) Calculated Property |
| Tc | 869.88 | K | Relay (1.0) Calculated Property |
| Tfus | 324.30 | K | Relay (1.0) Calculated Property |
| Vc | 1.119 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [978.07; 1050.85] | J/mol×K | [927.05; 1143.73] |
|
| Cp,gas | 978.07 | J/mol×K | 927.05 | Joback Calculated Property |
| Cp,gas | 992.85 | J/mol×K | 963.16 | Joback Calculated Property |
| Cp,gas | 1006.49 | J/mol×K | 999.28 | Joback Calculated Property |
| Cp,gas | 1019.04 | J/mol×K | 1035.39 | Joback Calculated Property |
| Cp,gas | 1030.58 | J/mol×K | 1071.50 | Joback Calculated Property |
| Cp,gas | 1041.16 | J/mol×K | 1107.62 | Joback Calculated Property |
| Cp,gas | 1050.85 | J/mol×K | 1143.73 | Joback Calculated Property |
| η | [0.0000284; 0.0003024] | Pa×s | [571.91; 927.05] |
|
| η | 0.0003024 | Pa×s | 571.91 | Joback Calculated Property |
| η | 0.0001694 | Pa×s | 631.10 | Joback Calculated Property |
| η | 0.0001049 | Pa×s | 690.29 | Joback Calculated Property |
| η | 0.0000700 | Pa×s | 749.48 | Joback Calculated Property |
| η | 0.0000496 | Pa×s | 808.67 | Joback Calculated Property |
| η | 0.0000368 | Pa×s | 867.86 | Joback Calculated Property |
| η | 0.0000284 | Pa×s | 927.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-bromophenyl octyl ester.
Sources
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