- InChI
- InChI=1S/C15H30O2S/c1-4-5-6-7-8-9-10-11-14(16)17-13-12-15(2,3)18/h18H,4-13H2,1-3H3
- InChI Key
- OYXFZHVGAWREDG-UHFFFAOYSA-N
- Formula
- C15H30O2S
- SMILES
- CCCCCCCCCC(=O)OCCC(C)(C)S
- Molecular Weight1
- 274.46
- 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.
- 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 |
|---|---|---|---|
| ω | 0.7911 | Relay (... Calculated Property | |
| ΔfG° | -126.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -656.68 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 34.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.23 | kJ/mol | Relay (... Calculated Property |
| IE | 9.00 | eV | Relay (... Calculated Property |
| log10WS | -4.64 | Relay (... Calculated Property | |
| logPoct/wat | 4.769 | Crippen Calculated Property | |
| McVol | 246.000 | ml/mol | McGowan Calculated Property |
| Pc | 1563.52 | kPa | Joback Calculated Property |
| Inp | [1876.00; 1876.00] |
|
|
| Inp | 1876.00 | NIST | |
| Inp | 1876.00 | NIST | |
| I | 2342.00 | NIST | |
| Tboil | 575.01 | K | Relay (... Calculated Property |
| Tc | 756.93 | K | Relay (... Calculated Property |
| Tfus | 283.81 | K | Relay (... Calculated Property |
| Vc | 0.911 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [686.15; 779.27] | J/mol×K | [678.52; 867.69] |
|
| Cp,gas | 686.15 | J/mol×K | 678.52 | Joback Calculated Property |
| Cp,gas | 703.90 | J/mol×K | 710.05 | Joback Calculated Property |
| Cp,gas | 720.71 | J/mol×K | 741.58 | Joback Calculated Property |
| Cp,gas | 736.62 | J/mol×K | 773.10 | Joback Calculated Property |
| Cp,gas | 751.66 | J/mol×K | 804.63 | Joback Calculated Property |
| Cp,gas | 765.86 | J/mol×K | 836.16 | Joback Calculated Property |
| Cp,gas | 779.27 | J/mol×K | 867.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-3-sulfanylbutyl Decanoate.
Sources
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