- InChI
- InChI=1S/C19H28O4S/c1-3-22-18(20)10-8-6-4-5-7-9-11-19(21)23-16-12-14-17(24-2)15-13-16/h12-15H,3-11H2,1-2H3
- InChI Key
- ZCBBYXJGTFTUNO-UHFFFAOYSA-N
- Formula
- C19H28O4S
- SMILES
-
CCOC(=O)CCCCCCCCC(=O)Oc1ccc(SC
)cc1 - Molecular Weight1
- 352.49
- 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.
- 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 | 0.9520 | Relay (1.0) Calculated Property | |
| ΔfG° | -222.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -791.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.998 | Crippen Calculated Property | |
| McVol | 286.040 | ml/mol | McGowan Calculated Property |
| Pc | 1460.13 | kPa | Joback Calculated Property |
| Inp | 2760.00 | NIST | |
| Tboil | 656.96 | K | Relay (1.0) Calculated Property |
| Tc | 851.23 | K | Relay (1.0) Calculated Property |
| Tfus | 332.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.047 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [877.76; 946.16] | J/mol×K | [887.14; 1099.93] | 
|
| Cp,gas | 877.76 | J/mol×K | 887.14 | Joback Calculated Property |
| Cp,gas | 892.30 | J/mol×K | 922.60 | Joback Calculated Property |
| Cp,gas | 905.56 | J/mol×K | 958.07 | Joback Calculated Property |
| Cp,gas | 917.57 | J/mol×K | 993.53 | Joback Calculated Property |
| Cp,gas | 928.32 | J/mol×K | 1029.00 | Joback Calculated Property |
| Cp,gas | 937.85 | J/mol×K | 1064.46 | Joback Calculated Property |
| Cp,gas | 946.16 | J/mol×K | 1099.93 | Joback Calculated Property |
Similar Compounds
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Sources
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