- InChI
- InChI=1S/C9H12F4O4/c1-2-16-6(14)3-4-7(15)17-5-9(12,13)8(10)11/h8H,2-5H2,1H3
- InChI Key
- IJKKMZYGWNXLBG-UHFFFAOYSA-N
- Formula
- C9H12F4O4
- SMILES
- CCOC(=O)CCC(=O)OCC(F)(F)C(F)F
- Molecular Weight1
- 260.18
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6380 | Relay (1.0) Calculated Property | |
| ΔfG° | -1374.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1635.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.773 | Crippen Calculated Property | |
| McVol | 159.630 | ml/mol | McGowan Calculated Property |
| Pc | 2019.95 | kPa | Joback Calculated Property |
| Inp | [1200.00; 1200.00] |
|
|
| Inp | 1200.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Tboil | 479.22 | K | Relay (1.0) Calculated Property |
| Tc | 637.81 | K | Relay (1.0) Calculated Property |
| Tfus | 278.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.609 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.10; 530.15] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.37340e+01 | |||
| Coefficient B | 9.28120e-01 | |||
| Coefficient C | -5.17200e-04 | |||
| Coefficient D | 7.55000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 260.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 310.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 355.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 395.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 429.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 458.41 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 482.87 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 502.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 518.51 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 530.15 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, ethyl 2,2,3,3-tetrafluoropropyl ester.
Sources
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