- InChI
- InChI=1S/C8H10S/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
- InChI Key
- QCLJODDRBGKIRW-UHFFFAOYSA-N
- Formula
- C8H10S
- SMILES
- Cc1cccc(C)c1S
- Molecular Weight1
- 138.23
- CAS
- 118-72-9
- Other Names
-
- 2,6-Dimethylbenzenethiol
- Benzenethiol, 2,6-dimethyl-
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔfG° | 139.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 43.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.74 | kJ/mol | Joback Calculated Property |
| log10WS | -2.94 | Crippen Calculated Property | |
| logPoct/wat | 2.592 | Crippen Calculated Property | |
| McVol | 116.170 | ml/mol | McGowan Calculated Property |
| Pc | 3805.69 | kPa | Joback Calculated Property |
| Inp | [1213.20; 1226.00] |
|
|
| Inp | 1226.00 | NIST | |
| Inp | 1226.00 | NIST | |
| Inp | 1213.20 | NIST | |
| Tboil | 481.94 | K | Joback Calculated Property |
| Tc | 719.76 | K | Joback Calculated Property |
| Tfus | 267.84 | K | Joback Calculated Property |
| Vc | 0.429 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [221.55; 285.11] | J/mol×K | [481.94; 719.76] |
|
| Cp,gas | 221.55 | J/mol×K | 481.94 | Joback Calculated Property |
| Cp,gas | 233.86 | J/mol×K | 521.58 | Joback Calculated Property |
| Cp,gas | 245.45 | J/mol×K | 561.21 | Joback Calculated Property |
| Cp,gas | 256.34 | J/mol×K | 600.85 | Joback Calculated Property |
| Cp,gas | 266.57 | J/mol×K | 640.49 | Joback Calculated Property |
| Cp,gas | 276.15 | J/mol×K | 680.13 | Joback Calculated Property |
| Cp,gas | 285.11 | J/mol×K | 719.76 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [364.56; 516.76] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47964e+01 | |||
| Coefficient B | -4.16901e+03 | |||
| Coefficient C | -7.72170e+01 | |||
| Temperature range, min. | 364.56 | |||
| Temperature range, max. | 516.76 | |||
| Pvap | 1.33 | kPa | 364.56 | Calculated Property |
| Pvap | 2.99 | kPa | 381.47 | Calculated Property |
| Pvap | 6.14 | kPa | 398.38 | Calculated Property |
| Pvap | 11.76 | kPa | 415.29 | Calculated Property |
| Pvap | 21.16 | kPa | 432.20 | Calculated Property |
| Pvap | 36.10 | kPa | 449.12 | Calculated Property |
| Pvap | 58.79 | kPa | 466.03 | Calculated Property |
| Pvap | 91.91 | kPa | 482.94 | Calculated Property |
| Pvap | 138.66 | kPa | 499.85 | Calculated Property |
| Pvap | 202.66 | kPa | 516.76 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dimethylthiophenol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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