- InChI
- InChI=1S/C18H23BrClFO4/c19-15-13-14(21)7-8-16(15)25-18(23)10-9-17(22)24-12-6-4-2-1-3-5-11-20/h7-8,13H,1-6,9-12H2
- InChI Key
- GYBPCKHETDYPQM-UHFFFAOYSA-N
- Formula
- C18H23BrClFO4
- SMILES
-
O=C(CCC(=O)Oc1ccc(F)cc1Br)OCCC
CCCCCCl - Molecular Weight1
- 437.73
- ω : Acentric Factor.
- 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).
- 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 | 1.0022 | Relay (1.0) Calculated Property | |
| ΔfG° | -466.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -963.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.396 | Crippen Calculated Property | |
| McVol | 287.110 | ml/mol | McGowan Calculated Property |
| Pc | 1518.75 | kPa | Joback Calculated Property |
| Inp | [2840.00; 2840.00] |
|
|
| Inp | 2840.00 | NIST | |
| Inp | 2840.00 | NIST | |
| Tboil | 645.03 | K | Relay (1.0) Calculated Property |
| Tc | 869.64 | K | Relay (1.0) Calculated Property |
| Tfus | 317.67 | K | Relay (1.0) Calculated Property |
| Vc | 1.037 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [831.23; 890.62] | J/mol×K | [903.32; 1114.98] |
|
| Cp,gas | 831.23 | J/mol×K | 903.32 | Joback Calculated Property |
| Cp,gas | 843.66 | J/mol×K | 938.60 | Joback Calculated Property |
| Cp,gas | 855.04 | J/mol×K | 973.87 | Joback Calculated Property |
| Cp,gas | 865.40 | J/mol×K | 1009.15 | Joback Calculated Property |
| Cp,gas | 874.77 | J/mol×K | 1044.43 | Joback Calculated Property |
| Cp,gas | 883.17 | J/mol×K | 1079.71 | Joback Calculated Property |
| Cp,gas | 890.62 | J/mol×K | 1114.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 8-chlorooctyl 2-bromo-4-fluorophenyl ester.
Sources
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