- InChI
- InChI=1S/C40H98O11Si9/c1-52(2,3)31-42-32(35(47-56(13,14)15)37(49-58(19,20)21)34(46-55(10,11)12)30-44-54(7,8)9)28-41-40-39(51-60(25,26)27)38(50-59(22,23)24)36(48-57(16,17)18)33(45-40)29-43-53(4,5)6/h32-40H,28-31H2,1-27H3/t32-,33-,34-,35-,36-,37+,38+,39-,40+/m0/s1
- InChI Key
- VHQIBTOGUDBOSM-LUFYFMEXSA-N
- Formula
- C40H98O11Si9
- SMILES
-
C[Si](C)(C)COC(COC1OC(CO[Si](C
)(C)C)C(O[Si](C)(C)C)C(O[Si](C )(C)C)C1O[Si](C)(C)C)C(O[Si](C )(C)C)C(O[Si](C)(C)C)C(CO[Si]( C)(C)C)O[Si](C)(C)C - Molecular Weight1
- 1007.97
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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.
- 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 | 1.2629 | Relay (... Calculated Property | |
| ΔfG° | -813.86 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -3069.91 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 102.42 | kJ/mol | Relay (... Calculated Property |
| IE | 8.82 | eV | Relay (... Calculated Property |
| log10WS | -6.34 | Relay (... Calculated Property | |
| logPoct/wat | 11.014 | Crippen Calculated Property | |
| Pc | -2001.44 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2903.20 | NIST | |
| Tboil | 813.10 | K | Relay (... Calculated Property |
| Tc | 917.06 | K | Relay (... Calculated Property |
| Tfus | 307.35 | K | Relay (... Calculated Property |
| Vc | 3.335 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to cellobutol, TMS.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- NIST Webbook
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