- InChI
- InChI=1S/C9H20S/c1-5-9(4)10-7-6-8(2)3/h8-9H,5-7H2,1-4H3
- InChI Key
- WMJKJOQJZMHMAM-UHFFFAOYSA-N
- Formula
- C9H20S
- SMILES
- CCC(C)SCCC(C)C
- Molecular Weight1
- 160.32
- 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).
- 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 | 0.3776 | Relay (1.0) Calculated Property | |
| ΔfG° | 53.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -211.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.564 | Crippen Calculated Property | |
| McVol | 154.020 | ml/mol | McGowan Calculated Property |
| Pc | 2381.86 | kPa | Joback Calculated Property |
| Inp | [1091.00; 1091.00] |
|
|
| Inp | 1091.00 | NIST | |
| Inp | 1091.00 | NIST | |
| Inp | 1091.00 | NIST | |
| Inp | 1091.00 | NIST | |
| Tboil | 458.83 | K | Relay (1.0) Calculated Property |
| Tc | 639.63 | K | Relay (1.0) Calculated Property |
| Tfus | 186.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.555 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [330.70; 415.05] | J/mol×K | [473.22; 665.22] |
|
| Cp,gas | 330.70 | J/mol×K | 473.22 | Joback Calculated Property |
| Cp,gas | 346.41 | J/mol×K | 505.22 | Joback Calculated Property |
| Cp,gas | 361.43 | J/mol×K | 537.22 | Joback Calculated Property |
| Cp,gas | 375.80 | J/mol×K | 569.22 | Joback Calculated Property |
| Cp,gas | 389.51 | J/mol×K | 601.22 | Joback Calculated Property |
| Cp,gas | 402.59 | J/mol×K | 633.22 | Joback Calculated Property |
| Cp,gas | 415.05 | J/mol×K | 665.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,7-dimethyl-4-thiaoctane.
Sources
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