- InChI
- InChI=1S/C10H22S/c1-4-6-7-8-10(3)9-11-5-2/h10H,4-9H2,1-3H3
- InChI Key
- ZRITYAYIKDALFO-UHFFFAOYSA-N
- Formula
- C10H22S
- SMILES
- CCCCCC(C)CSCC
- Molecular Weight1
- 174.35
- 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° | 64.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -213.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.28 | kJ/mol | Joback Calculated Property |
| log10WS | -3.65 | Crippen Calculated Property | |
| logPoct/wat | 3.956 | Crippen Calculated Property | |
| McVol | 168.110 | ml/mol | McGowan Calculated Property |
| Pc | 2157.31 | kPa | Joback Calculated Property |
| Inp | [1216.00; 1216.00] |
|
|
| Inp | 1216.00 | NIST | |
| Inp | 1216.00 | NIST | |
| Tboil | 496.54 | K | Joback Calculated Property |
| Tc | 682.34 | K | Joback Calculated Property |
| Tfus | 221.86 | K | Joback Calculated Property |
| Vc | 0.643 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [376.11; 463.12] | J/mol×K | [496.54; 682.34] |
|
| Cp,gas | 376.11 | J/mol×K | 496.54 | Joback Calculated Property |
| Cp,gas | 392.28 | J/mol×K | 527.51 | Joback Calculated Property |
| Cp,gas | 407.76 | J/mol×K | 558.47 | Joback Calculated Property |
| Cp,gas | 422.57 | J/mol×K | 589.44 | Joback Calculated Property |
| Cp,gas | 436.72 | J/mol×K | 620.41 | Joback Calculated Property |
| Cp,gas | 450.23 | J/mol×K | 651.37 | Joback Calculated Property |
| Cp,gas | 463.12 | J/mol×K | 682.34 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [370.83; 516.75] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.53810e+01 | |||
| Coefficient B | -4.41450e+03 | |||
| Coefficient C | -7.83540e+01 | |||
| Temperature range, min. | 370.83 | |||
| Temperature range, max. | 516.75 | |||
| Pvap | 1.33 | kPa | 370.83 | Calculated Property |
| Pvap | 2.95 | kPa | 387.04 | Calculated Property |
| Pvap | 6.01 | kPa | 403.26 | Calculated Property |
| Pvap | 11.47 | kPa | 419.47 | Calculated Property |
| Pvap | 20.63 | kPa | 435.68 | Calculated Property |
| Pvap | 35.27 | kPa | 451.90 | Calculated Property |
| Pvap | 57.67 | kPa | 468.11 | Calculated Property |
| Pvap | 90.66 | kPa | 484.32 | Calculated Property |
| Pvap | 137.64 | kPa | 500.54 | Calculated Property |
| Pvap | 202.63 | kPa | 516.75 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-methyl-3-thiadecane.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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