- InChI
- InChI=1S/C18H22O2S/c1-14(2)10-11-16(12-15(3)4)20-18(19)13-21-17-8-6-5-7-9-17/h5-9,15-16H,1,12-13H2,2-4H3
- InChI Key
- MFSURPYVUFOBQQ-UHFFFAOYSA-N
- Formula
- C18H22O2S
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)CSc1cc
ccc1 - Molecular Weight1
- 302.43
- 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° | 289.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.70 | kJ/mol | Joback Calculated Property |
| log10WS | -5.20 | Crippen Calculated Property | |
| logPoct/wat | 4.316 | Crippen Calculated Property | |
| McVol | 251.610 | ml/mol | McGowan Calculated Property |
| Pc | 1843.58 | kPa | Joback Calculated Property |
| Inp | 2068.00 | NIST | |
| Tboil | 787.67 | K | Joback Calculated Property |
| Tc | 1025.42 | K | Joback Calculated Property |
| Tfus | 485.98 | K | Joback Calculated Property |
| Vc | 0.946 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [700.08; 781.37] | J/mol×K | [787.67; 1025.42] | 
|
| Cp,gas | 700.08 | J/mol×K | 787.67 | Joback Calculated Property |
| Cp,gas | 716.78 | J/mol×K | 827.30 | Joback Calculated Property |
| Cp,gas | 732.15 | J/mol×K | 866.92 | Joback Calculated Property |
| Cp,gas | 746.25 | J/mol×K | 906.55 | Joback Calculated Property |
| Cp,gas | 759.12 | J/mol×K | 946.17 | Joback Calculated Property |
| Cp,gas | 770.81 | J/mol×K | 985.80 | Joback Calculated Property |
| Cp,gas | 781.37 | J/mol×K | 1025.42 | Joback Calculated Property |
Similar Compounds
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Sources
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