- InChI
- InChI=1S/C9H20S/c1-6-8(4)10-9(5)7(2)3/h7-9H,6H2,1-5H3
- InChI Key
- VAMBGYNCDFSVMB-UHFFFAOYSA-N
- Formula
- C9H20S
- SMILES
- CCC(C)SC(C)C(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 | 0.3481 | Relay (1.0) Calculated Property | |
| ΔfG° | 50.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -216.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.563 | Crippen Calculated Property | |
| McVol | 154.020 | ml/mol | McGowan Calculated Property |
| Pc | 2400.57 | kPa | Joback Calculated Property |
| Inp | [1054.00; 1054.00] |
|
|
| Inp | 1054.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Tboil | 452.22 | K | Relay (1.0) Calculated Property |
| Tc | 630.25 | K | Relay (1.0) Calculated Property |
| Tfus | 193.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.539 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [330.83; 417.22] | J/mol×K | [472.78; 669.11] |
|
| Cp,gas | 330.83 | J/mol×K | 472.78 | Joback Calculated Property |
| Cp,gas | 346.97 | J/mol×K | 505.50 | Joback Calculated Property |
| Cp,gas | 362.39 | J/mol×K | 538.22 | Joback Calculated Property |
| Cp,gas | 377.11 | J/mol×K | 570.94 | Joback Calculated Property |
| Cp,gas | 391.15 | J/mol×K | 603.67 | Joback Calculated Property |
| Cp,gas | 404.51 | J/mol×K | 636.39 | Joback Calculated Property |
| Cp,gas | 417.22 | J/mol×K | 669.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5,6-trimethyl-4-thiaheptane.
Sources
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