- InChI
- InChI=1S/C16H18ClFO4/c1-2-3-4-5-11-21-14(19)9-10-15(20)22-16-12(17)7-6-8-13(16)18/h2,6-8H,1,3-5,9-11H2
- InChI Key
- ITIREZLSGRNLPR-UHFFFAOYSA-N
- Formula
- C16H18ClFO4
- SMILES
-
C=CCCCCOC(=O)CCC(=O)Oc1c(F)ccc
c1Cl - Molecular Weight1
- 328.76
- 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° | -409.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -736.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.02 | kJ/mol | Joback Calculated Property |
| log10WS | -4.87 | Crippen Calculated Property | |
| logPoct/wat | 4.064 | Crippen Calculated Property | |
| McVol | 237.130 | ml/mol | McGowan Calculated Property |
| Pc | 1734.67 | kPa | Joback Calculated Property |
| Inp | [2214.00; 2214.00] |
|
|
| Inp | 2214.00 | NIST | |
| Inp | 2214.00 | NIST | |
| Tboil | 788.08 | K | Joback Calculated Property |
| Tc | 990.76 | K | Joback Calculated Property |
| Tfus | 494.61 | K | Joback Calculated Property |
| Vc | 0.919 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.92; 719.87] | J/mol×K | [788.08; 990.76] |
|
| Cp,gas | 655.92 | J/mol×K | 788.08 | Joback Calculated Property |
| Cp,gas | 668.81 | J/mol×K | 821.86 | Joback Calculated Property |
| Cp,gas | 680.78 | J/mol×K | 855.64 | Joback Calculated Property |
| Cp,gas | 691.86 | J/mol×K | 889.42 | Joback Calculated Property |
| Cp,gas | 702.06 | J/mol×K | 923.20 | Joback Calculated Property |
| Cp,gas | 711.39 | J/mol×K | 956.98 | Joback Calculated Property |
| Cp,gas | 719.87 | J/mol×K | 990.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl hex-5-en-1-yl ester.
Sources
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