- InChI
- InChI=1S/C19H24O2S/c1-5-9-16(4)18(13-12-15(2)3)21-19(20)14-22-17-10-7-6-8-11-17/h6-8,10-11,16,18H,2,5,9,14H2,1,3-4H3
- InChI Key
- AQPWGSQNSKAZGU-UHFFFAOYSA-N
- Formula
- C19H24O2S
- SMILES
-
C=C(C)C#CC(OC(=O)CSc1ccccc1)C(
C)CCC - Molecular Weight1
- 316.46
- 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° | 297.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -24.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.92 | kJ/mol | Joback Calculated Property |
| log10WS | -5.62 | Crippen Calculated Property | |
| logPoct/wat | 4.706 | Crippen Calculated Property | |
| McVol | 265.700 | ml/mol | McGowan Calculated Property |
| Pc | 1700.50 | kPa | Joback Calculated Property |
| Inp | 2150.00 | NIST | |
| Tboil | 810.55 | K | Joback Calculated Property |
| Tc | 1044.36 | K | Joback Calculated Property |
| Tfus | 497.25 | K | Joback Calculated Property |
| Vc | 1.002 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [756.58; 838.56] | J/mol×K | [810.55; 1044.36] | 
|
| Cp,gas | 756.58 | J/mol×K | 810.55 | Joback Calculated Property |
| Cp,gas | 773.39 | J/mol×K | 849.52 | Joback Calculated Property |
| Cp,gas | 788.88 | J/mol×K | 888.49 | Joback Calculated Property |
| Cp,gas | 803.09 | J/mol×K | 927.45 | Joback Calculated Property |
| Cp,gas | 816.07 | J/mol×K | 966.42 | Joback Calculated Property |
| Cp,gas | 827.88 | J/mol×K | 1005.39 | Joback Calculated Property |
| Cp,gas | 838.56 | J/mol×K | 1044.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Phenylthio)acetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.
Sources
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