- InChI
- InChI=1S/C18H24O2Si/c1-17(2,3)21(18(4,5)6)19-15-11-13-9-7-8-10-14(13)12-16(15)20-21/h7-12H,1-6H3
- InChI Key
- QLDZDKQBZNBPKF-UHFFFAOYSA-N
- Formula
- C18H24O2Si
- SMILES
-
CC(C)(C)[Si]1(C(C)(C)C)Oc2cc3c
cccc3cc2O1 - Molecular Weight1
- 300.47
- 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 | 0.5852 | Relay (1.0) Calculated Property | |
| ΔfG° | 53.05 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -375.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.653 | Crippen Calculated Property | |
| Pc | 1610.11 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1990.00; 1990.00] |
|
|
| Inp | 1990.00 | NIST | |
| Inp | 1990.00 | NIST | |
| Tboil | 619.48 | K | Relay (1.0) Calculated Property |
| Tc | 883.07 | K | Relay (1.0) Calculated Property |
| Tfus | 488.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.926 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Naphthalenediol, DTBS.
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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