- InChI
- InChI=1S/C18H24BrFO4/c1-4-5-6-7-8-11-23-16(21)18(2,3)17(22)24-15-10-9-13(20)12-14(15)19/h9-10,12H,4-8,11H2,1-3H3
- InChI Key
- GZPYYKMILXYCAZ-UHFFFAOYSA-N
- Formula
- C18H24BrFO4
- SMILES
-
CCCCCCCOC(=O)C(C)(C)C(=O)Oc1cc
c(F)cc1Br - Molecular Weight1
- 403.28
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -451.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -869.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.90 | kJ/mol | Joback Calculated Property |
| log10WS | -6.09 | Crippen Calculated Property | |
| logPoct/wat | 5.033 | Crippen Calculated Property | |
| McVol | 274.870 | ml/mol | McGowan Calculated Property |
| Pc | 1587.28 | kPa | Joback Calculated Property |
| Inp | [2199.00; 2199.00] |
|
|
| Inp | 2199.00 | NIST | |
| Inp | 2199.00 | NIST | |
| Tboil | 862.66 | K | Joback Calculated Property |
| Tc | 1074.64 | K | Joback Calculated Property |
| Tfus | 551.21 | K | Joback Calculated Property |
| Vc | 1.052 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [808.63; 875.82] | J/mol×K | [862.66; 1074.64] |
|
| Cp,gas | 808.63 | J/mol×K | 862.66 | Joback Calculated Property |
| Cp,gas | 822.27 | J/mol×K | 897.99 | Joback Calculated Property |
| Cp,gas | 834.88 | J/mol×K | 933.32 | Joback Calculated Property |
| Cp,gas | 846.50 | J/mol×K | 968.65 | Joback Calculated Property |
| Cp,gas | 857.16 | J/mol×K | 1003.98 | Joback Calculated Property |
| Cp,gas | 866.92 | J/mol×K | 1039.31 | Joback Calculated Property |
| Cp,gas | 875.82 | J/mol×K | 1074.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 2-bromo-4-fluorophenyl heptyl ester.
Sources
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