- InChI
- InChI=1S/C17H18ClFO4/c1-3-6-12(7-4-2)22-15(20)10-11-16(21)23-17-13(18)8-5-9-14(17)19/h3-5,8-9,12H,1-2,6-7,10-11H2
- InChI Key
- IUNPSLRFGBPUOC-UHFFFAOYSA-N
- Formula
- C17H18ClFO4
- SMILES
-
C=CCC(CC=C)OC(=O)CCC(=O)Oc1c(F
)cccc1Cl - Molecular Weight1
- 340.77
- 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° | -315.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -636.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.19 | kJ/mol | Joback Calculated Property |
| log10WS | -5.25 | Crippen Calculated Property | |
| logPoct/wat | 4.229 | Crippen Calculated Property | |
| McVol | 246.920 | ml/mol | McGowan Calculated Property |
| Pc | 1670.06 | kPa | Joback Calculated Property |
| Inp | [2172.00; 2172.00] |
|
|
| Inp | 2172.00 | NIST | |
| Inp | 2172.00 | NIST | |
| Tboil | 807.20 | K | Joback Calculated Property |
| Tc | 1013.76 | K | Joback Calculated Property |
| Tfus | 489.12 | K | Joback Calculated Property |
| Vc | 0.951 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [685.74; 748.87] | J/mol×K | [807.20; 1013.76] |
|
| Cp,gas | 685.74 | J/mol×K | 807.20 | Joback Calculated Property |
| Cp,gas | 698.58 | J/mol×K | 841.63 | Joback Calculated Property |
| Cp,gas | 710.46 | J/mol×K | 876.05 | Joback Calculated Property |
| Cp,gas | 721.40 | J/mol×K | 910.48 | Joback Calculated Property |
| Cp,gas | 731.44 | J/mol×K | 944.91 | Joback Calculated Property |
| Cp,gas | 740.59 | J/mol×K | 979.33 | Joback Calculated Property |
| Cp,gas | 748.87 | J/mol×K | 1013.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl hept-1,6-dien-4-yl ester.
Sources
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