- InChI
- InChI=1S/C19H40O4Si2/c1-18(2,3)24(7,8)22-16(20)14-12-11-13-15-17(21)23-25(9,10)19(4,5)6/h11-15H2,1-10H3
- InChI Key
- BBMNMSUSTQGVGW-UHFFFAOYSA-N
- Formula
- C19H40O4Si2
- SMILES
-
CC(C)(C)[Si](C)(C)OC(=O)CCCCCC
(=O)O[Si](C)(C)C(C)(C)C - Molecular Weight1
- 388.69
- CAS
- 104255-95-0
- Other Names
-
- Pimelic acid, bis(tert-butyldimethylsilyl) ester
- Pimelic acid, diTBDMS
- Pimelic acid, DMTBS
- Pimelic acid, TBDMS
- Bis[tert-butyl(dimethyl)silyl] pimelate
- Heptanedioic acid, 2tbdms derivative
- 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 | 0.8284 | Relay (1.0) Calculated Property | |
| ΔfG° | -353.63 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1237.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.034 | Crippen Calculated Property | |
| Pc | 1255.42 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2059.80; 2071.00] |
|
|
| Inp | 2071.00 | NIST | |
| Inp | 2059.80 | NIST | |
| Inp | 2066.00 | NIST | |
| Inp | 2070.00 | NIST | |
| Inp | 2071.00 | NIST | |
| Inp | 2066.00 | NIST | |
| Inp | 2059.80 | NIST | |
| Tboil | 566.14 | K | Relay (1.0) Calculated Property |
| Tc | 782.05 | K | Relay (1.0) Calculated Property |
| Tfus | 345.22 | K | Relay (1.0) Calculated Property |
| Vc | 1.318 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Heptanedioic acid, bis(tert-butyldimethylsilyl) ester.
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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