- InChI
- InChI=1S/C17H22BrFO4/c1-4-14(11(2)3)22-16(20)6-5-7-17(21)23-15-9-8-12(19)10-13(15)18/h8-11,14H,4-7H2,1-3H3
- InChI Key
- SKSXNXQLQIQWRO-UHFFFAOYSA-N
- Formula
- C17H22BrFO4
- SMILES
-
CCC(OC(=O)CCCC(=O)Oc1ccc(F)cc1
Br)C(C)C - Molecular Weight1
- 389.26
- 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° | -467.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -850.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.19 | kJ/mol | Joback Calculated Property |
| log10WS | -5.78 | Crippen Calculated Property | |
| logPoct/wat | 4.642 | Crippen Calculated Property | |
| McVol | 260.780 | ml/mol | McGowan Calculated Property |
| Pc | 1711.78 | kPa | Joback Calculated Property |
| Inp | [2242.00; 2242.00] |
|
|
| Inp | 2242.00 | NIST | |
| Inp | 2242.00 | NIST | |
| Tboil | 842.13 | K | Joback Calculated Property |
| Tc | 1052.89 | K | Joback Calculated Property |
| Tfus | 507.52 | K | Joback Calculated Property |
| Vc | 0.996 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [751.46; 817.09] | J/mol×K | [842.13; 1052.89] |
|
| Cp,gas | 751.46 | J/mol×K | 842.13 | Joback Calculated Property |
| Cp,gas | 764.97 | J/mol×K | 877.26 | Joback Calculated Property |
| Cp,gas | 777.43 | J/mol×K | 912.38 | Joback Calculated Property |
| Cp,gas | 788.85 | J/mol×K | 947.51 | Joback Calculated Property |
| Cp,gas | 799.25 | J/mol×K | 982.64 | Joback Calculated Property |
| Cp,gas | 808.66 | J/mol×K | 1017.76 | Joback Calculated Property |
| Cp,gas | 817.09 | J/mol×K | 1052.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-methylpent-3-yl 2-bromo-4-fluorophenyl ester.
Sources
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