- InChI
- InChI=1S/C8H18S/c1-8(2,3)6-4-5-7-9/h9H,4-7H2,1-3H3
- InChI Key
- YBZXKSZKVDFBJI-UHFFFAOYSA-N
- Formula
- C8H18S
- SMILES
- CC(C)(C)CCCCS
- Molecular Weight1
- 146.29
- CAS
- 7341-16-4
- 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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- 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° | 48.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -178.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.84 | kJ/mol | Joback Calculated Property |
| log10WS | -3.00 | Crippen Calculated Property | |
| logPoct/wat | 3.133 | Crippen Calculated Property | |
| McVol | 139.930 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 2 | KDB | |
| NFPA Health | 2 | KDB | |
| Pc | 2761.36 | kPa | Joback Calculated Property |
| Tboil | 442.07 | K | Joback Calculated Property |
| Tc | 639.83 | K | Joback Calculated Property |
| Tfus | 218.80 | K | Joback Calculated Property |
| Vc | 0.526 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.00; 367.11] | J/mol×K | [442.07; 639.83] | 
|
| Cp,gas | 287.00 | J/mol×K | 442.07 | Joback Calculated Property |
| Cp,gas | 302.27 | J/mol×K | 475.03 | Joback Calculated Property |
| Cp,gas | 316.73 | J/mol×K | 507.99 | Joback Calculated Property |
| Cp,gas | 330.41 | J/mol×K | 540.95 | Joback Calculated Property |
| Cp,gas | 343.35 | J/mol×K | 573.91 | Joback Calculated Property |
| Cp,gas | 355.57 | J/mol×K | 606.87 | Joback Calculated Property |
| Cp,gas | 367.11 | J/mol×K | 639.83 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [323.32; 508.92] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.24305e+01 | |||
| Coefficient B | -3.19364e+03 | |||
| Coefficient C | -6.03150e+01 | |||
| Temperature range, min. | 323.32 | |||
| Temperature range, max. | 508.92 | |||
| Pvap | 1.33 | kPa | 323.32 | Calculated Property |
| Pvap | 3.22 | kPa | 343.94 | Calculated Property |
| Pvap | 6.91 | kPa | 364.56 | Calculated Property |
| Pvap | 13.46 | kPa | 385.19 | Calculated Property |
| Pvap | 24.21 | kPa | 405.81 | Calculated Property |
| Pvap | 40.75 | kPa | 426.43 | Calculated Property |
| Pvap | 64.88 | kPa | 447.05 | Calculated Property |
| Pvap | 98.56 | kPa | 467.68 | Calculated Property |
| Pvap | 143.80 | kPa | 488.30 | Calculated Property |
| Pvap | 202.64 | kPa | 508.92 | Calculated Property |
Similar Compounds
Find more compounds similar to Tert-octyl mercaptan.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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