- InChI
- InChI=1S/C20H26O2S/c21-19(14-23-18-4-2-1-3-5-18)22-7-6-20-11-15-8-16(12-20)10-17(9-15)13-20/h1-5,15-17H,6-14H2
- InChI Key
- MVJMRHGNZUBBPJ-UHFFFAOYSA-N
- Formula
- C20H26O2S
- SMILES
-
O=C(CSc1ccccc1)OCCC12CC3CC(CC(
C3)C1)C2 - Molecular Weight1
- 330.48
- 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° | 186.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -215.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.81 | kJ/mol | Joback Calculated Property |
| log10WS | -5.24 | Crippen Calculated Property | |
| logPoct/wat | 4.928 | Crippen Calculated Property | |
| McVol | 260.110 | ml/mol | McGowan Calculated Property |
| Pc | 1862.72 | kPa | Joback Calculated Property |
| Inp | 2665.00 | NIST | |
| Tboil | 848.81 | K | Joback Calculated Property |
| Tc | 1094.40 | K | Joback Calculated Property |
| Tfus | 518.10 | K | Joback Calculated Property |
| Vc | 0.986 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [845.70; 970.09] | J/mol×K | [848.81; 1094.40] | 
|
| Cp,gas | 845.70 | J/mol×K | 848.81 | Joback Calculated Property |
| Cp,gas | 866.74 | J/mol×K | 889.74 | Joback Calculated Property |
| Cp,gas | 887.28 | J/mol×K | 930.67 | Joback Calculated Property |
| Cp,gas | 907.60 | J/mol×K | 971.60 | Joback Calculated Property |
| Cp,gas | 927.98 | J/mol×K | 1012.53 | Joback Calculated Property |
| Cp,gas | 948.71 | J/mol×K | 1053.46 | Joback Calculated Property |
| Cp,gas | 970.09 | J/mol×K | 1094.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Phenylthio)acetic acid, 2-(1-adamantyl)ethyl ester.
Sources
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