- InChI
- InChI=1S/C21H14F12O10/c22-18(23,24)14(34)39-7-9-10(41-15(35)19(25,26)27)11(42-16(36)20(28,29)30)12(43-17(37)21(31,32)33)13(40-9)38-6-8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/t9-,10-,11+,12-,13-/m0/s1
- InChI Key
- JIMPIJVFQGNCEM-WJTVCTBASA-N
- Formula
- C21H14F12O10
- SMILES
-
O=C(OCC1OC(OCc2ccccc2)C(OC(=O)
C(F)(F)F)C(OC(=O)C(F)(F)F)C1OC (=O)C(F)(F)F)C(F)(F)F - Molecular Weight1
- 654.31
- Other Names
-
- Benzyl alcohol, «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° | -3221.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3899.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.36 | kJ/mol | Joback Calculated Property |
| log10WS | -5.44 | Crippen Calculated Property | |
| logPoct/wat | 3.456 | Crippen Calculated Property | |
| McVol | 334.870 | ml/mol | McGowan Calculated Property |
| Pc | 1016.83 | kPa | Joback Calculated Property |
| Inp | [1765.00; 1770.00] |
|
|
| Inp | 1770.00 | NIST | |
| Inp | 1765.00 | NIST | |
| Inp | 1770.00 | NIST | |
| Inp | 1765.00 | NIST | |
| Inp | 1770.00 | NIST | |
| Inp | 1770.00 | NIST | |
| Inp | 1765.00 | NIST | |
| Tboil | 1040.28 | K | Joback Calculated Property |
| Tc | 1283.00 | K | Joback Calculated Property |
| Tfus | 697.47 | K | Joback Calculated Property |
| Vc | 1.339 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1163.42; 1178.30] | J/mol×K | [1040.28; 1283.00] |
|
| Cp,gas | 1163.42 | J/mol×K | 1040.28 | Joback Calculated Property |
| Cp,gas | 1170.06 | J/mol×K | 1080.73 | Joback Calculated Property |
| Cp,gas | 1174.70 | J/mol×K | 1121.19 | Joback Calculated Property |
| Cp,gas | 1177.42 | J/mol×K | 1161.64 | Joback Calculated Property |
| Cp,gas | 1178.30 | J/mol×K | 1202.10 | Joback Calculated Property |
| Cp,gas | 1177.41 | J/mol×K | 1242.55 | Joback Calculated Property |
| Cp,gas | 1174.83 | J/mol×K | 1283.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenemethanol, Gly, TFA.
Sources
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