- InChI
- InChI=1S/C19H15F15O10/c1-3-4(2)40-10-8(44-13(39)16(24,25)19(32,33)34)6(43-12(38)15(22,23)18(29,30)31)5(7(41-10)9(35)36)42-11(37)14(20,21)17(26,27)28/h4-8,10H,3H2,1-2H3,(H,35,36)/t4-,5?,6?,7?,8?,10?/m1/s1
- InChI Key
- OGBPEWFEGQJNEI-VQMJRHPMSA-N
- Formula
- C19H15F15O10
- SMILES
-
CCC(C)OC1OC(C(=O)O)C(OC(=O)C(F
)(F)C(F)(F)F)C(OC(=O)C(F)(F)C( F)(F)F)C1OC(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 688.29
- 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 | 1.0328 | Relay (... Calculated Property | |
| ΔfG° | -3963.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4925.76 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 62.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.80 | kJ/mol | Relay (... Calculated Property |
| IE | 10.93 | eV | Relay (... Calculated Property |
| log10WS | -7.18 | Relay (... Calculated Property | |
| logPoct/wat | 3.939 | Crippen Calculated Property | |
| McVol | 335.760 | ml/mol | McGowan Calculated Property |
| Pc | 943.84 | kPa | Joback Calculated Property |
| Inp | 1509.00 | NIST | |
| Tboil | 591.29 | K | Relay (... Calculated Property |
| Tc | 745.06 | K | Relay (... Calculated Property |
| Tfus | 400.35 | K | Relay (... Calculated Property |
| Vc | 1.282 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1201.71; 1232.77] | J/mol×K | [1028.51; 1295.74] | 
|
| Cp,gas | 1201.71 | J/mol×K | 1028.51 | Joback Calculated Property |
| Cp,gas | 1210.67 | J/mol×K | 1073.05 | Joback Calculated Property |
| Cp,gas | 1217.86 | J/mol×K | 1117.59 | Joback Calculated Property |
| Cp,gas | 1223.47 | J/mol×K | 1162.12 | Joback Calculated Property |
| Cp,gas | 1227.69 | J/mol×K | 1206.66 | Joback Calculated Property |
| Cp,gas | 1230.72 | J/mol×K | 1251.20 | Joback Calculated Property |
| Cp,gas | 1232.77 | J/mol×K | 1295.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (S)-2-Butyl glucuronide, PFP.
Sources
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