- InChI
- InChI=1S/C21H32O4S/c1-3-4-17-24-20(22)11-9-7-5-6-8-10-12-21(23)25-18-13-15-19(26-2)16-14-18/h13-16H,3-12,17H2,1-2H3
- InChI Key
- ZZXKIFUCEJKCKY-UHFFFAOYSA-N
- Formula
- C21H32O4S
- SMILES
-
CCCCOC(=O)CCCCCCCCC(=O)Oc1ccc(
SC)cc1 - Molecular Weight1
- 380.54
- 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° | -206.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -699.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.41 | kJ/mol | Joback Calculated Property |
| log10WS | -6.41 | Crippen Calculated Property | |
| logPoct/wat | 5.778 | Crippen Calculated Property | |
| McVol | 314.220 | ml/mol | McGowan Calculated Property |
| Pc | 1267.35 | kPa | Joback Calculated Property |
| Inp | [2959.00; 2959.00] |
|
|
| Inp | 2959.00 | NIST | |
| Inp | 2959.00 | NIST | |
| Tboil | 932.90 | K | Joback Calculated Property |
| Tc | 1147.80 | K | Joback Calculated Property |
| Tfus | 544.09 | K | Joback Calculated Property |
| Vc | 1.206 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [996.35; 1064.41] | J/mol×K | [932.90; 1147.80] |
|
| Cp,gas | 996.35 | J/mol×K | 932.90 | Joback Calculated Property |
| Cp,gas | 1011.07 | J/mol×K | 968.72 | Joback Calculated Property |
| Cp,gas | 1024.41 | J/mol×K | 1004.53 | Joback Calculated Property |
| Cp,gas | 1036.39 | J/mol×K | 1040.35 | Joback Calculated Property |
| Cp,gas | 1047.04 | J/mol×K | 1076.17 | Joback Calculated Property |
| Cp,gas | 1056.37 | J/mol×K | 1111.98 | Joback Calculated Property |
| Cp,gas | 1064.41 | J/mol×K | 1147.80 | Joback Calculated Property |
Similar Compounds
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Sources
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