![Benzo[b]thiophene, 2,3-dihydro-](/cid/30-495-9/Benzo-b-thiophene-2-3-dihydro.png "Benzo[b]thiophene, 2,3-dihydro-")
- InChI
- InChI=1S/C8H8S/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2
- InChI Key
- YJUFGFXVASPYFQ-UHFFFAOYSA-N
- Formula
- C8H8S
- SMILES
- c1ccc2c(c1)CCS2
- Molecular Weight1
- 136.21
- CAS
- 4565-32-6
- Other Names
-
- 1-Thiaindan
- 2,3-Dihydrobenzo[b]thiophene
- 2,3-Dihydrobenzothiophene
- Benzothiophane
- Dihydrobenzothiophene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 153.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.10 ± 0.20 | kJ/mol | NIST |
| IE | 7.95 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.335 | Crippen Calculated Property | |
| McVol | 105.310 | ml/mol | McGowan Calculated Property |
| Tfus | 257.50 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.88; 265.29] | J/mol×K | [473.54; 720.27] | 
|
| Cp,gas | 201.88 | J/mol×K | 473.54 | Joback Calculated Property |
| Cp,gas | 214.92 | J/mol×K | 514.66 | Joback Calculated Property |
| Cp,gas | 226.85 | J/mol×K | 555.78 | Joback Calculated Property |
| Cp,gas | 237.76 | J/mol×K | 596.91 | Joback Calculated Property |
| Cp,gas | 247.74 | J/mol×K | 638.03 | Joback Calculated Property |
| Cp,gas | 256.89 | J/mol×K | 679.15 | Joback Calculated Property |
| Cp,gas | 265.29 | J/mol×K | 720.27 | Joback Calculated Property |
| ΔfusH | 14.84 | kJ/mol | 269.80 | NIST |
| ΔvapH | [46.40; 56.30] | kJ/mol | [451.00; 451.00] |
|
| ΔvapH | 56.30 ± 0.20 | kJ/mol | 451.00 | NIST |
| ΔvapH | 53.80 ± 0.20 | kJ/mol | 451.00 | NIST |
| ΔvapH | 51.40 ± 0.20 | kJ/mol | 451.00 | NIST |
| ΔvapH | 49.00 ± 0.20 | kJ/mol | 451.00 | NIST |
| ΔvapH | 46.40 ± 0.30 | kJ/mol | 451.00 | NIST |
Similar Compounds
Find more compounds similar to Benzo[b]thiophene, 2,3-dihydro-.
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
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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