- InChI
- InChI=1S/C16H22O4S/c1-12(2)11-19-15(17)9-6-10-16(18)20-13-7-4-5-8-14(13)21-3/h4-5,7-8,12H,6,9-11H2,1-3H3
- InChI Key
- RHFYPLIBUPAFFV-UHFFFAOYSA-N
- Formula
- C16H22O4S
- SMILES
-
CSc1ccccc1OC(=O)CCCC(=O)OCC(C)
C - Molecular Weight1
- 310.41
- 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 | 0.7949 | Relay (1.0) Calculated Property | |
| ΔfG° | -250.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -738.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.683 | Crippen Calculated Property | |
| McVol | 243.770 | ml/mol | McGowan Calculated Property |
| Pc | 1856.31 | kPa | Joback Calculated Property |
| Inp | 2494.00 | NIST | |
| Tboil | 626.21 | K | Relay (1.0) Calculated Property |
| Tc | 819.41 | K | Relay (1.0) Calculated Property |
| Tfus | 307.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.878 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [705.72; 773.74] | J/mol×K | [818.06; 1036.20] | 
|
| Cp,gas | 705.72 | J/mol×K | 818.06 | Joback Calculated Property |
| Cp,gas | 720.02 | J/mol×K | 854.42 | Joback Calculated Property |
| Cp,gas | 733.13 | J/mol×K | 890.77 | Joback Calculated Property |
| Cp,gas | 745.05 | J/mol×K | 927.13 | Joback Calculated Property |
| Cp,gas | 755.79 | J/mol×K | 963.49 | Joback Calculated Property |
| Cp,gas | 765.34 | J/mol×K | 999.84 | Joback Calculated Property |
| Cp,gas | 773.74 | J/mol×K | 1036.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl 2-(methylthio)phenyl ester.
Sources
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