- InChI
- InChI=1S/C13H21FO4/c14-8-9-17-12(15)6-7-13(16)18-10-11-4-2-1-3-5-11/h11H,1-10H2
- InChI Key
- OMSUINKBDSPRTM-UHFFFAOYSA-N
- Formula
- C13H21FO4
- SMILES
- O=C(CCC(=O)OCC1CCCCC1)OCCF
- Molecular Weight1
- 260.30
- 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° | -579.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -943.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.46 | kJ/mol | Joback Calculated Property |
| log10WS | -2.50 | Crippen Calculated Property | |
| logPoct/wat | 2.403 | Crippen Calculated Property | |
| McVol | 199.820 | ml/mol | McGowan Calculated Property |
| Pc | 2040.07 | kPa | Joback Calculated Property |
| Inp | [1850.00; 1850.00] |
|
|
| Inp | 1850.00 | NIST | |
| Inp | 1850.00 | NIST | |
| Tboil | 668.24 | K | Joback Calculated Property |
| Tc | 862.53 | K | Joback Calculated Property |
| Tfus | 388.56 | K | Joback Calculated Property |
| Vc | 0.762 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [569.11; 655.95] | J/mol×K | [668.24; 862.53] |
|
| Cp,gas | 569.11 | J/mol×K | 668.24 | Joback Calculated Property |
| Cp,gas | 585.95 | J/mol×K | 700.62 | Joback Calculated Property |
| Cp,gas | 601.84 | J/mol×K | 733.00 | Joback Calculated Property |
| Cp,gas | 616.78 | J/mol×K | 765.39 | Joback Calculated Property |
| Cp,gas | 630.77 | J/mol×K | 797.77 | Joback Calculated Property |
| Cp,gas | 643.83 | J/mol×K | 830.15 | Joback Calculated Property |
| Cp,gas | 655.95 | J/mol×K | 862.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, cyclohexylmethyl 2-fluoroethyl ester.
Sources
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