- InChI
- InChI=1S/C7H9F5O4/c8-6(9,7(10,11)12)5(15)16-2-1-4(14)3-13/h4,13-14H,1-3H2
- InChI Key
- UJRHXTYAFYZOBS-UHFFFAOYSA-N
- Formula
- C7H9F5O4
- SMILES
- O=C(OCCC(O)CO)C(F)(F)C(F)(F)F
- Molecular Weight1
- 252.14
- 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° | -1470.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1740.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.62 | kJ/mol | Joback Calculated Property |
| log10WS | -1.23 | Crippen Calculated Property | |
| logPoct/wat | 0.470 | Crippen Calculated Property | |
| McVol | 137.520 | ml/mol | McGowan Calculated Property |
| Pc | 2956.90 | kPa | Joback Calculated Property |
| Inp | [989.00; 989.00] |
|
|
| Inp | 989.00 | NIST | |
| Inp | 989.00 | NIST | |
| Tboil | 609.66 | K | Joback Calculated Property |
| Tc | 764.08 | K | Joback Calculated Property |
| Tfus | 355.24 | K | Joback Calculated Property |
| Vc | 0.551 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [385.02; 425.22] | J/mol×K | [609.66; 764.08] |
|
| Cp,gas | 385.02 | J/mol×K | 609.66 | Joback Calculated Property |
| Cp,gas | 392.77 | J/mol×K | 635.40 | Joback Calculated Property |
| Cp,gas | 400.07 | J/mol×K | 661.13 | Joback Calculated Property |
| Cp,gas | 406.94 | J/mol×K | 686.87 | Joback Calculated Property |
| Cp,gas | 413.41 | J/mol×K | 712.61 | Joback Calculated Property |
| Cp,gas | 419.50 | J/mol×K | 738.34 | Joback Calculated Property |
| Cp,gas | 425.22 | J/mol×K | 764.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (S)-(-)-1,2,4-Butanetriol, 4-pentafluoropropionate.
Sources
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