![Dibenzo[b,d]thiophene, 1,3,6,7-tetramethyl-](/cid/74-020-7/Dibenzo-b-d-thiophene-1-3-6-7-tetramethyl.png "Dibenzo[b,d]thiophene, 1,3,6,7-tetramethyl-")
- InChI
- InChI=1S/C16H16S/c1-9-7-11(3)15-13-6-5-10(2)12(4)16(13)17-14(15)8-9/h5-8H,1-4H3
- InChI Key
- BGBHHOPUOKYSTA-UHFFFAOYSA-N
- Formula
- C16H16S
- SMILES
-
Cc1cc(C)c2c(c1)sc1c(C)c(C)ccc1
2 - Molecular Weight1
- 240.36
- Other Names
-
- 1,3,6,7-tetramethyl-dibenzothiophene
- 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.
- McVol : McGowan's characteristic volume (ml/mol).
- 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 | 0.5495 | Relay (1.0) Calculated Property | |
| ΔfG° | 237.89 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 122.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.288 | Crippen Calculated Property | |
| McVol | 194.270 | ml/mol | McGowan Calculated Property |
| Pc | 2035.17 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 373.77 | NIST | |
| Tboil | 652.74 | K | Relay (1.0) Calculated Property |
| Tc | 909.88 | K | Relay (1.0) Calculated Property |
| Tfus | 399.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.729 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Dibenzo[b,d]thiophene, 1,3,6,7-tetramethyl-.
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
- McGowan Method
- NIST Webbook
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