- InChI
- InChI=1S/C24H29NO3Si2/c1-29(2,3)25(22-17-11-13-18-12-7-8-14-19(18)22)23(26)20-15-9-10-16-21(20)24(27)28-30(4,5)6/h7-17H,1-6H3
- InChI Key
- CAVAVTFJURSCMM-UHFFFAOYSA-N
- Formula
- C24H29NO3Si2
- SMILES
-
C[Si](C)(C)OC(=O)c1ccccc1C(=O)
N(c1cccc2ccccc12)[Si](C)(C)C - Molecular Weight1
- 435.66
- Other Names
-
- 2-[(1-Naphthalenyl-N-trimethylsilylamino)carbonyl] benzoic Acid, trimethylsilyl ester
- 2-(1-Naphthylcarbamoyl)benzoic acid, 2TMS
- 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 | 0.8690 | Relay (1.0) Calculated Property | |
| ΔfG° | 94.89 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -540.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.313 | Crippen Calculated Property | |
| Pc | 553.78 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2575.00; 2575.00] |
|
|
| Inp | 2575.00 | NIST | |
| Inp | 2575.00 | NIST | |
| Tboil | 712.60 | K | Relay (1.0) Calculated Property |
| Tc | 1024.53 | K | Relay (1.0) Calculated Property |
| Tfus | 374.67 | K | Relay (1.0) Calculated Property |
| Vc | 1.300 | m3/kmol | Relay (1.0) 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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