- InChI
- InChI=1S/C20H17F15O10/c1-3-5(2)4-41-11-9(45-14(40)17(25,26)20(33,34)35)7(44-13(39)16(23,24)19(30,31)32)6(8(42-11)10(36)37)43-12(38)15(21,22)18(27,28)29/h5-9,11H,3-4H2,1-2H3,(H,36,37)/t5-,6?,7?,8?,9?,11?/m1/s1
- InChI Key
- ZLYIYJQPJVWHOJ-ZAIAIYBWSA-N
- Formula
- C20H17F15O10
- SMILES
-
CCC(C)COC1OC(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
- 702.32
- 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° | -3955.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4746.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.70 | kJ/mol | Joback Calculated Property |
| log10WS | -5.69 | Crippen Calculated Property | |
| logPoct/wat | 4.187 | Crippen Calculated Property | |
| McVol | 349.850 | ml/mol | McGowan Calculated Property |
| Pc | 890.54 | kPa | Joback Calculated Property |
| Inp | 1593.00 | NIST | |
| Tboil | 1051.39 | K | Joback Calculated Property |
| Tc | 1334.81 | K | Joback Calculated Property |
| Tfus | 689.98 | K | Joback Calculated Property |
| Vc | 1.419 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1259.21; 1291.18] | J/mol×K | [1051.39; 1334.81] | 
|
| Cp,gas | 1259.21 | J/mol×K | 1051.39 | Joback Calculated Property |
| Cp,gas | 1268.58 | J/mol×K | 1098.63 | Joback Calculated Property |
| Cp,gas | 1276.01 | J/mol×K | 1145.86 | Joback Calculated Property |
| Cp,gas | 1281.75 | J/mol×K | 1193.10 | Joback Calculated Property |
| Cp,gas | 1286.02 | J/mol×K | 1240.34 | Joback Calculated Property |
| Cp,gas | 1289.09 | J/mol×K | 1287.58 | Joback Calculated Property |
| Cp,gas | 1291.18 | J/mol×K | 1334.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (S)-2-Methylbutyl glucuronide, PFP.
Sources
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