- InChI
- InChI=1S/C17H20BrFO4/c18-14-10-13(19)6-7-15(14)23-17(21)9-8-16(20)22-11-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,11H2
- InChI Key
- RCMCZHDDGVEIPF-UHFFFAOYSA-N
- Formula
- C17H20BrFO4
- SMILES
-
O=C(CCC(=O)Oc1ccc(F)cc1Br)OCC1
CCCCC1 - Molecular Weight1
- 387.24
- 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° | -438.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -785.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.39 | kJ/mol | Joback Calculated Property |
| log10WS | -5.56 | Crippen Calculated Property | |
| logPoct/wat | 4.397 | Crippen Calculated Property | |
| McVol | 249.920 | ml/mol | McGowan Calculated Property |
| Pc | 2014.51 | kPa | Joback Calculated Property |
| Inp | [2486.00; 2486.00] |
|
|
| Inp | 2486.00 | NIST | |
| Inp | 2486.00 | NIST | |
| Tboil | 862.56 | K | Joback Calculated Property |
| Tc | 1091.12 | K | Joback Calculated Property |
| Tfus | 544.90 | K | Joback Calculated Property |
| Vc | 0.941 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [743.59; 808.18] | J/mol×K | [862.56; 1091.12] |
|
| Cp,gas | 743.59 | J/mol×K | 862.56 | Joback Calculated Property |
| Cp,gas | 757.66 | J/mol×K | 900.65 | Joback Calculated Property |
| Cp,gas | 770.37 | J/mol×K | 938.75 | Joback Calculated Property |
| Cp,gas | 781.74 | J/mol×K | 976.84 | Joback Calculated Property |
| Cp,gas | 791.82 | J/mol×K | 1014.93 | Joback Calculated Property |
| Cp,gas | 800.62 | J/mol×K | 1053.02 | Joback Calculated Property |
| Cp,gas | 808.18 | J/mol×K | 1091.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, cyclohexylmethyl 2-bromo-4-fluorophenyl ester.
Sources
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