- InChI
- InChI=1S/C30H20F18O16/c31-25(32,33)19(49)57-8-11-13(61-21(51)27(37,38)39)15(63-23(53)29(43,44)45)17(59-11)56-7-10-12(60-20(50)26(34,35)36)14(62-22(52)28(40,41)42)16(64-24(54)30(46,47)48)18(58-10)55-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11+,12-,13+,14+,15-,16-,17-,18-/m0/s1
- InChI Key
- RLAJQRZPNBQZPM-NLBOSZRJSA-N
- Formula
- C30H20F18O16
- SMILES
-
O=C(OCC1OC(OCC2OC(OCc3ccccc3)C
(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F )F)C2OC(=O)C(F)(F)F)C(OC(=O)C( F)(F)F)C1OC(=O)C(F)(F)F)C(F)(F )F - Molecular Weight1
- 978.44
- Other Names
-
- Benzenemethanol, «alpha»-L-Arabinofuranosyl-«beta»-D-Glucopyranoside, TFA
- 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° | -4954.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -6033.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 106.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.47 | kJ/mol | Joback Calculated Property |
| log10WS | -7.26 | Crippen Calculated Property | |
| logPoct/wat | 4.146 | Crippen Calculated Property | |
| McVol | 488.060 | ml/mol | McGowan Calculated Property |
| Pc | 599.26 | kPa | Joback Calculated Property |
| Inp | [2150.00; 2175.00] |
|
|
| Inp | 2150.00 | NIST | |
| Inp | 2165.00 | NIST | |
| Inp | 2175.00 | NIST | |
| Tboil | 1438.58 | K | Joback Calculated Property |
| Tc | 2096.23 | K | Joback Calculated Property |
| Tfus | 998.58 | K | Joback Calculated Property |
| Vc | 1.954 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1198.92; 1698.38] | J/mol×K | [1438.58; 2096.23] |
|
| Cp,gas | 1698.38 | J/mol×K | 1438.58 | Joback Calculated Property |
| Cp,gas | 1645.88 | J/mol×K | 1548.19 | Joback Calculated Property |
| Cp,gas | 1578.50 | J/mol×K | 1657.80 | Joback Calculated Property |
| Cp,gas | 1498.18 | J/mol×K | 1767.41 | Joback Calculated Property |
| Cp,gas | 1406.85 | J/mol×K | 1877.02 | Joback Calculated Property |
| Cp,gas | 1306.45 | J/mol×K | 1986.63 | Joback Calculated Property |
| Cp,gas | 1198.92 | J/mol×K | 2096.23 | Joback Calculated Property |
Similar Compounds
Sources
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