- 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
- 160.33
- CAS
- ---
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4177 | Relay (1.0) Calculated Property | |
| ΔfG° | 55.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -202.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.65 | Relay (1.0) 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 | 467.67 | K | Relay (1.0) Calculated Property |
| Tc | 659.93 | K | Relay (1.0) Calculated Property |
| Tfus | 206.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.556 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.59; 510.77] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.26250e+01 | |||
| Coefficient B | 8.59150e-01 | |||
| Coefficient C | -4.28800e-04 | |||
| Coefficient D | 6.78000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 216.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 265.91 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 310.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 350.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 386.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 418.73 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 446.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 471.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 492.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 510.77 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [353.17; 497.60] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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