- InChI
- InChI=1S/C9H20S/c1-4-5-6-7-9(2)8-10-3/h9H,4-8H2,1-3H3
- InChI Key
- YCWDRUCKPAINDK-UHFFFAOYSA-N
- Formula
- C9H20S
- SMILES
- CCCCCC(C)CSC
- Molecular Weight1
- 160.32
- CAS
- ---
- 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° | 55.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -192.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.06 | kJ/mol | Joback Calculated Property |
| log10WS | -3.23 | Crippen Calculated Property | |
| logPoct/wat | 3.566 | Crippen Calculated Property | |
| McVol | 154.020 | ml/mol | McGowan Calculated Property |
| Pc | 2363.37 | kPa | Joback Calculated Property |
| Inp | 1150.00 | NIST | |
| Tboil | 473.66 | K | Joback Calculated Property |
| Tc | 661.48 | K | Joback Calculated Property |
| Tfus | 210.59 | K | Joback Calculated Property |
| Vc | 0.588 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [330.57; 412.93] | J/mol×K | [473.66; 661.48] | 
|
| Cp,gas | 330.57 | J/mol×K | 473.66 | Joback Calculated Property |
| Cp,gas | 345.86 | J/mol×K | 504.96 | Joback Calculated Property |
| Cp,gas | 360.50 | J/mol×K | 536.27 | Joback Calculated Property |
| Cp,gas | 374.52 | J/mol×K | 567.57 | Joback Calculated Property |
| Cp,gas | 387.92 | J/mol×K | 598.87 | Joback Calculated Property |
| Cp,gas | 400.72 | J/mol×K | 630.17 | Joback Calculated Property |
| Cp,gas | 412.93 | J/mol×K | 661.48 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [353.17; 497.60] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50843e+01 | |||
| Coefficient B | -4.15716e+03 | |||
| Coefficient C | -7.22160e+01 | |||
| Temperature range, min. | 353.17 | |||
| Temperature range, max. | 497.60 | |||
| Pvap | 1.33 | kPa | 353.17 | Calculated Property |
| Pvap | 2.97 | kPa | 369.22 | Calculated Property |
| Pvap | 6.08 | kPa | 385.27 | Calculated Property |
| Pvap | 11.61 | kPa | 401.31 | Calculated Property |
| Pvap | 20.90 | kPa | 417.36 | Calculated Property |
| Pvap | 35.69 | kPa | 433.41 | Calculated Property |
| Pvap | 58.23 | kPa | 449.46 | Calculated Property |
| Pvap | 91.29 | kPa | 465.50 | Calculated Property |
| Pvap | 138.16 | kPa | 481.55 | Calculated Property |
| Pvap | 202.67 | kPa | 497.60 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-methyl-2-thianonane.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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