- InChI
- InChI=1S/C20H30O4S/c1-3-16-23-19(21)10-8-6-4-5-7-9-11-20(22)24-17-12-14-18(25-2)15-13-17/h12-15H,3-11,16H2,1-2H3
- InChI Key
- FFCTXSVWPXVVEA-UHFFFAOYSA-N
- Formula
- C20H30O4S
- SMILES
-
CCCOC(=O)CCCCCCCCC(=O)Oc1ccc(S
C)cc1 - Molecular Weight1
- 366.51
- 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.
- 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° | -214.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -678.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.18 | kJ/mol | Joback Calculated Property |
| log10WS | -6.00 | Crippen Calculated Property | |
| logPoct/wat | 5.388 | Crippen Calculated Property | |
| McVol | 300.130 | ml/mol | McGowan Calculated Property |
| Pc | 1358.63 | kPa | Joback Calculated Property |
| Inp | [2862.00; 2862.00] |
|
|
| Inp | 2862.00 | NIST | |
| Inp | 2862.00 | NIST | |
| Tboil | 910.02 | K | Joback Calculated Property |
| Tc | 1123.46 | K | Joback Calculated Property |
| Tfus | 532.82 | K | Joback Calculated Property |
| Vc | 1.149 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [936.75; 1005.05] | J/mol×K | [910.02; 1123.46] |
|
| Cp,gas | 936.75 | J/mol×K | 910.02 | Joback Calculated Property |
| Cp,gas | 951.39 | J/mol×K | 945.59 | Joback Calculated Property |
| Cp,gas | 964.69 | J/mol×K | 981.17 | Joback Calculated Property |
| Cp,gas | 976.70 | J/mol×K | 1016.74 | Joback Calculated Property |
| Cp,gas | 987.41 | J/mol×K | 1052.31 | Joback Calculated Property |
| Cp,gas | 996.85 | J/mol×K | 1087.89 | Joback Calculated Property |
| Cp,gas | 1005.05 | J/mol×K | 1123.46 | Joback Calculated Property |
Similar Compounds
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Sources
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