- InChI
- InChI=1S/C11H10F10O4/c1-5(4-25-7(23)9(14,15)11(19,20)21)2-3-24-6(22)8(12,13)10(16,17)18/h5H,2-4H2,1H3
- InChI Key
- QYJMOSQGRXNUBG-UHFFFAOYSA-N
- Formula
- C11H10F10O4
- SMILES
-
CC(CCOC(=O)C(F)(F)C(F)(F)F)COC
(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 396.18
- 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 | 0.6751 | Relay (1.0) Calculated Property | |
| ΔfG° | -2365.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2898.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.494 | Crippen Calculated Property | |
| McVol | 198.430 | ml/mol | McGowan Calculated Property |
| Pc | 1540.29 | kPa | Joback Calculated Property |
| Inp | [1017.00; 1017.00] |
|
|
| Inp | 1017.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Tboil | 448.04 | K | Relay (1.0) Calculated Property |
| Tc | 576.86 | K | Relay (1.0) Calculated Property |
| Tfus | 263.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.767 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [559.54; 618.39] | J/mol×K | [583.00; 733.40] |
|
| Cp,gas | 559.54 | J/mol×K | 583.00 | Joback Calculated Property |
| Cp,gas | 570.99 | J/mol×K | 608.07 | Joback Calculated Property |
| Cp,gas | 581.75 | J/mol×K | 633.13 | Joback Calculated Property |
| Cp,gas | 591.83 | J/mol×K | 658.20 | Joback Calculated Property |
| Cp,gas | 601.28 | J/mol×K | 683.26 | Joback Calculated Property |
| Cp,gas | 610.12 | J/mol×K | 708.33 | Joback Calculated Property |
| Cp,gas | 618.39 | J/mol×K | 733.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-1,4-butanediol, bis(pentafluoropropionate).
Sources
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