- InChI
- InChI=1S/C12H26S/c1-4-5-6-7-8-9-10-11-12(2,3)13/h13H,4-11H2,1-3H3
- InChI Key
- FRQQKWGDKVGLFI-UHFFFAOYSA-N
- Formula
- C12H26S
- SMILES
- CCCCCCCCCC(C)(C)S
- Molecular Weight1
- 202.40
- CAS
- 10059-13-9
- Other Names
-
- 1,1-Dimethyl-decyl-mercaptan
- 2-Methyl-2-undecanethiol
- 2-Methylundecane-2-thiol
- 2-Methylundecyl-2-thiol
- 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).
- 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° | 82.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -261.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.75 | kJ/mol | Joback Calculated Property |
| log10WS | -5.03 | Crippen Calculated Property | |
| logPoct/wat | 4.835 | Crippen Calculated Property | |
| McVol | 196.290 | ml/mol | McGowan Calculated Property |
| Pc | 1911.91 | kPa | Joback Calculated Property |
| Tboil | 533.59 | K | Joback Calculated Property |
| Tc | 722.19 | K | Joback Calculated Property |
| Tfus | 263.88 | K | Joback Calculated Property |
| Vc | 0.750 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [471.83; 568.46] | J/mol×K | [533.59; 722.19] | 
|
| Cp,gas | 471.83 | J/mol×K | 533.59 | Joback Calculated Property |
| Cp,gas | 490.12 | J/mol×K | 565.02 | Joback Calculated Property |
| Cp,gas | 507.49 | J/mol×K | 596.46 | Joback Calculated Property |
| Cp,gas | 523.96 | J/mol×K | 627.89 | Joback Calculated Property |
| Cp,gas | 539.59 | J/mol×K | 659.32 | Joback Calculated Property |
| Cp,gas | 554.41 | J/mol×K | 690.75 | Joback Calculated Property |
| Cp,gas | 568.46 | J/mol×K | 722.19 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [399.48; 580.12] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40041e+01 | |||
| Coefficient B | -4.28724e+03 | |||
| Coefficient C | -8.69190e+01 | |||
| Temperature range, min. | 399.48 | |||
| Temperature range, max. | 580.12 | |||
| Pvap | 1.33 | kPa | 399.48 | Calculated Property |
| Pvap | 3.05 | kPa | 419.55 | Calculated Property |
| Pvap | 6.35 | kPa | 439.62 | Calculated Property |
| Pvap | 12.22 | kPa | 459.69 | Calculated Property |
| Pvap | 21.99 | kPa | 479.76 | Calculated Property |
| Pvap | 37.39 | kPa | 499.84 | Calculated Property |
| Pvap | 60.50 | kPa | 519.91 | Calculated Property |
| Pvap | 93.81 | kPa | 539.98 | Calculated Property |
| Pvap | 140.14 | kPa | 560.05 | Calculated Property |
| Pvap | 202.64 | kPa | 580.12 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Undecanethiol, 2-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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