![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
-
- Benzothiophane
- 1-Thiaindan
- 2,3-Dihydrobenzothiophene
- 2,3-Dihydrobenzo[b]thiophene
- Dihydrobenzothiophene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 227.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 155.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.10 ± 0.20 | kJ/mol | NIST |
| log10WS | -2.49 | Crippen Calculated Property | |
| logPoct/wat | 2.335 | Crippen Calculated Property | |
| McVol | 105.310 | ml/mol | McGowan Calculated Property |
| Pc | 4368.40 | kPa | Joback Calculated Property |
| Tboil | 473.34 | K | Joback Calculated Property |
| Tc | 719.97 | K | Joback Calculated Property |
| Tfus | 324.49 | K | Joback Calculated Property |
| Vc | 0.380 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.81; 265.23] | J/mol×K | [473.34; 719.97] | 
|
| Cp,gas | 201.81 | J/mol×K | 473.34 | Joback Calculated Property |
| Cp,gas | 214.85 | J/mol×K | 514.44 | Joback Calculated Property |
| Cp,gas | 226.78 | J/mol×K | 555.55 | Joback Calculated Property |
| Cp,gas | 237.69 | J/mol×K | 596.65 | Joback Calculated Property |
| Cp,gas | 247.68 | J/mol×K | 637.76 | Joback Calculated Property |
| Cp,gas | 256.83 | J/mol×K | 678.86 | Joback Calculated Property |
| Cp,gas | 265.23 | J/mol×K | 719.97 | 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
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