- InChI
- InChI=1S/C10H18O2S/c1-4-6-10(13-8(3)12)9(5-2)7-11/h7,9-10H,4-6H2,1-3H3
- InChI Key
- GANMVCGGCRYFKR-UHFFFAOYSA-N
- Formula
- C10H18O2S
- SMILES
- CCCC(SC(C)=O)C(C=O)CC
- Molecular Weight1
- 202.31
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ΔfG° | -166.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -416.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.36 | kJ/mol | Joback Calculated Property |
| log10WS | -2.82 | Crippen Calculated Property | |
| logPoct/wat | 2.660 | Crippen Calculated Property | |
| McVol | 171.250 | ml/mol | McGowan Calculated Property |
| Pc | 2480.12 | kPa | Joback Calculated Property |
| Inp | [1368.00; 1373.00] |
|
|
| Inp | 1373.00 | NIST | |
| Inp | 1368.00 | NIST | |
| I | [1932.00; 1942.00] |
|
|
| I | 1942.00 | NIST | |
| I | 1932.00 | NIST | |
| Tboil | 598.63 | K | Joback Calculated Property |
| Tc | 800.64 | K | Joback Calculated Property |
| Tfus | 298.79 | K | Joback Calculated Property |
| Vc | 0.660 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [420.99; 494.22] | J/mol×K | [598.63; 800.64] |
|
| Cp,gas | 420.99 | J/mol×K | 598.63 | Joback Calculated Property |
| Cp,gas | 435.02 | J/mol×K | 632.30 | Joback Calculated Property |
| Cp,gas | 448.30 | J/mol×K | 665.97 | Joback Calculated Property |
| Cp,gas | 460.85 | J/mol×K | 699.63 | Joback Calculated Property |
| Cp,gas | 472.67 | J/mol×K | 733.30 | Joback Calculated Property |
| Cp,gas | 483.79 | J/mol×K | 766.97 | Joback Calculated Property |
| Cp,gas | 494.22 | J/mol×K | 800.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(Acetylthio)-2-ethylhexanal.
Sources
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