- InChI
- InChI=1S/C8H16OS/c1-4-6-8(5-2)10-7(3)9/h8H,4-6H2,1-3H3
- InChI Key
- NRDBXJDTTOICDG-UHFFFAOYSA-N
- Formula
- C8H16OS
- SMILES
- CCCC(CC)SC(C)=O
- Molecular Weight1
- 160.28
- CAS
- 55590-84-6
- 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).
- 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 | 0.4067 | Relay (1.0) Calculated Property | |
| ΔfG° | -81.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -316.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.845 | Crippen Calculated Property | |
| McVol | 141.500 | ml/mol | McGowan Calculated Property |
| Pc | 2775.92 | kPa | Joback Calculated Property |
| Tboil | 452.00 | K | Relay (1.0) Calculated Property |
| Tc | 633.83 | K | Relay (1.0) Calculated Property |
| Tfus | 221.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.482 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.83; 379.39] | J/mol×K | [504.65; 704.63] | 
|
| Cp,gas | 307.83 | J/mol×K | 504.65 | Joback Calculated Property |
| Cp,gas | 321.28 | J/mol×K | 537.98 | Joback Calculated Property |
| Cp,gas | 334.10 | J/mol×K | 571.31 | Joback Calculated Property |
| Cp,gas | 346.32 | J/mol×K | 604.64 | Joback Calculated Property |
| Cp,gas | 357.93 | J/mol×K | 637.97 | Joback Calculated Property |
| Cp,gas | 368.95 | J/mol×K | 671.30 | Joback Calculated Property |
| Cp,gas | 379.39 | J/mol×K | 704.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanethioic acid, S-(1-ethylbutyl) ester.
Sources
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