- InChI
- InChI=1S/C26H41BrO4/c1-4-7-8-9-10-11-12-13-14-15-16-21-30-24(28)26(5-2,6-3)25(29)31-23-19-17-22(27)18-20-23/h17-20H,4-16,21H2,1-3H3
- InChI Key
- IXHRGLUDTPCJMA-UHFFFAOYSA-N
- Formula
- C26H41BrO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(
=O)Oc1ccc(Br)cc1 - Molecular Weight1
- 497.50
- 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 | 1.1194 | Relay (1.0) Calculated Property | |
| ΔfG° | -179.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -926.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.015 | Crippen Calculated Property | |
| McVol | 385.820 | ml/mol | McGowan Calculated Property |
| Pc | 965.67 | kPa | Joback Calculated Property |
| Inp | [3089.00; 3089.00] |
|
|
| Inp | 3089.00 | NIST | |
| Inp | 3089.00 | NIST | |
| Tboil | 694.38 | K | Relay (1.0) Calculated Property |
| Tc | 904.02 | K | Relay (1.0) Calculated Property |
| Tfus | 329.43 | K | Relay (1.0) Calculated Property |
| Vc | 1.392 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1283.39; 1361.82] | J/mol×K | [1041.45; 1275.40] |
|
| Cp,gas | 1283.39 | J/mol×K | 1041.45 | Joback Calculated Property |
| Cp,gas | 1299.48 | J/mol×K | 1080.44 | Joback Calculated Property |
| Cp,gas | 1314.23 | J/mol×K | 1119.43 | Joback Calculated Property |
| Cp,gas | 1327.74 | J/mol×K | 1158.42 | Joback Calculated Property |
| Cp,gas | 1340.11 | J/mol×K | 1197.41 | Joback Calculated Property |
| Cp,gas | 1351.44 | J/mol×K | 1236.41 | Joback Calculated Property |
| Cp,gas | 1361.82 | J/mol×K | 1275.40 | Joback Calculated Property |
| η | [0.0000126; 0.0001582] | Pa×s | [628.26; 1041.45] |
|
| η | 0.0001582 | Pa×s | 628.26 | Joback Calculated Property |
| η | 0.0000843 | Pa×s | 697.12 | Joback Calculated Property |
| η | 0.0000503 | Pa×s | 765.99 | Joback Calculated Property |
| η | 0.0000327 | Pa×s | 834.85 | Joback Calculated Property |
| η | 0.0000227 | Pa×s | 903.72 | Joback Calculated Property |
| η | 0.0000166 | Pa×s | 972.58 | Joback Calculated Property |
| η | 0.0000126 | Pa×s | 1041.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-bromophenyl tridecyl ester.
Sources
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