![4-Pyrimidinecarboxylic acid, 2,6-bis[(tert-butyldimethylsilyl)oxy]-, tert-butyldimethylsilyl ester](/cid/81-605-0/4-Pyrimidinecarboxylic-acid-2-6-bis-tert-butyldimethylsilyl-oxy-tert-butyldimethylsilyl-ester.png "4-Pyrimidinecarboxylic acid, 2,6-bis[(tert-butyldimethylsilyl)oxy]-, tert-butyldimethylsilyl ester")
- InChI
- InChI=1S/C23H46N2O4Si3/c1-21(2,3)30(10,11)27-18-16-17(19(26)28-31(12,13)22(4,5)6)24-20(25-18)29-32(14,15)23(7,8)9/h16H,1-15H3
- InChI Key
- KYXHYBLGLQCYAV-UHFFFAOYSA-N
- Formula
- C23H46N2O4Si3
- SMILES
-
CC(C)(C)[Si](C)(C)OC(=O)c1cc(O
[Si](C)(C)C(C)(C)C)nc(O[Si](C) (C)C(C)(C)C)n1 - Molecular Weight1
- 498.88
- CAS
- 959264-61-0
- Other Names
-
- Orotic acid, bis(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester
- Orotic acid, TBDMS
- 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 | 0.8706 | Relay (... Calculated Property | |
| ΔfG° | -95.25 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1172.10 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 80.89 | kJ/mol | Relay (... Calculated Property |
| IE | 8.73 | eV | Relay (... Calculated Property |
| log10WS | -5.79 | Relay (... Calculated Property | |
| logPoct/wat | 7.407 | Crippen Calculated Property | |
| Pc | 883.65 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2390.00; 2390.00] |
|
|
| Inp | 2390.00 | NIST | |
| Inp | 2390.00 | NIST | |
| Tboil | 617.35 | K | Relay (... Calculated Property |
| Tc | 902.01 | K | Relay (... Calculated Property |
| Tfus | 393.48 | K | Relay (... Calculated Property |
| Vc | 1.647 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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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