- InChI
- InChI=1S/C15H16ClFO4/c1-3-5-10(2)20-13(18)8-9-14(19)21-15-11(16)6-4-7-12(15)17/h3-4,6-7,10H,1,5,8-9H2,2H3
- InChI Key
- IIBMPUMKFNXGGJ-UHFFFAOYSA-N
- Formula
- C15H16ClFO4
- SMILES
-
C=CCC(C)OC(=O)CCC(=O)Oc1c(F)cc
cc1Cl - Molecular Weight1
- 314.74
- 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° | -420.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -720.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.41 | kJ/mol | Joback Calculated Property |
| log10WS | -4.56 | Crippen Calculated Property | |
| logPoct/wat | 3.672 | Crippen Calculated Property | |
| McVol | 223.040 | ml/mol | McGowan Calculated Property |
| Pc | 1895.30 | kPa | Joback Calculated Property |
| Inp | [1979.00; 1979.00] |
|
|
| Inp | 1979.00 | NIST | |
| Inp | 1979.00 | NIST | |
| Tboil | 764.76 | K | Joback Calculated Property |
| Tc | 971.64 | K | Joback Calculated Property |
| Tfus | 468.34 | K | Joback Calculated Property |
| Vc | 0.858 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [601.99; 664.81] | J/mol×K | [764.76; 971.64] |
|
| Cp,gas | 601.99 | J/mol×K | 764.76 | Joback Calculated Property |
| Cp,gas | 614.69 | J/mol×K | 799.24 | Joback Calculated Property |
| Cp,gas | 626.48 | J/mol×K | 833.72 | Joback Calculated Property |
| Cp,gas | 637.37 | J/mol×K | 868.20 | Joback Calculated Property |
| Cp,gas | 647.38 | J/mol×K | 902.68 | Joback Calculated Property |
| Cp,gas | 656.53 | J/mol×K | 937.16 | Joback Calculated Property |
| Cp,gas | 664.81 | J/mol×K | 971.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl pent-4-en-2-yl ester.
Sources
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