- InChI
- InChI=1S/C15H16ClFO4/c1-2-3-4-10-20-13(18)8-9-14(19)21-15-11(16)6-5-7-12(15)17/h2,5-7H,1,3-4,8-10H2
- InChI Key
- ZIRKVGGVKJFRMH-UHFFFAOYSA-N
- Formula
- C15H16ClFO4
- SMILES
-
C=CCCCOC(=O)CCC(=O)Oc1c(F)cccc
1Cl - 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° | -418.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -715.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.79 | kJ/mol | Joback Calculated Property |
| log10WS | -4.45 | Crippen Calculated Property | |
| logPoct/wat | 3.674 | Crippen Calculated Property | |
| McVol | 223.040 | ml/mol | McGowan Calculated Property |
| Pc | 1882.17 | kPa | Joback Calculated Property |
| Inp | [2081.00; 2081.00] |
|
|
| Inp | 2081.00 | NIST | |
| Inp | 2081.00 | NIST | |
| Tboil | 765.20 | K | Joback Calculated Property |
| Tc | 969.16 | K | Joback Calculated Property |
| Tfus | 483.34 | K | Joback Calculated Property |
| Vc | 0.864 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [601.41; 663.65] | J/mol×K | [765.20; 969.16] |
|
| Cp,gas | 601.41 | J/mol×K | 765.20 | Joback Calculated Property |
| Cp,gas | 613.92 | J/mol×K | 799.19 | Joback Calculated Property |
| Cp,gas | 625.56 | J/mol×K | 833.19 | Joback Calculated Property |
| Cp,gas | 636.34 | J/mol×K | 867.18 | Joback Calculated Property |
| Cp,gas | 646.28 | J/mol×K | 901.17 | Joback Calculated Property |
| Cp,gas | 655.38 | J/mol×K | 935.17 | Joback Calculated Property |
| Cp,gas | 663.65 | J/mol×K | 969.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl pent-4-en-1-yl ester.
Sources
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