- InChI
- InChI=1S/C23H38O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25-23(24)21-26-22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3
- InChI Key
- SCFJLJQQNNDISM-UHFFFAOYSA-N
- Formula
- C23H38O2S
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CSc1ccccc
1 - Molecular Weight1
- 378.61
- 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° | 54.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -484.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.04 | kJ/mol | Joback Calculated Property |
| log10WS | -7.78 | Crippen Calculated Property | |
| logPoct/wat | 7.413 | Crippen Calculated Property | |
| McVol | 334.960 | ml/mol | McGowan Calculated Property |
| Pc | 1087.78 | kPa | Joback Calculated Property |
| Inp | 2815.00 | NIST | |
| Tboil | 897.39 | K | Joback Calculated Property |
| Tc | 1104.00 | K | Joback Calculated Property |
| Tfus | 481.95 | K | Joback Calculated Property |
| Vc | 1.294 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1072.39; 1160.57] | J/mol×K | [897.39; 1104.00] | 
|
| Cp,gas | 1072.39 | J/mol×K | 897.39 | Joback Calculated Property |
| Cp,gas | 1090.12 | J/mol×K | 931.83 | Joback Calculated Property |
| Cp,gas | 1106.58 | J/mol×K | 966.26 | Joback Calculated Property |
| Cp,gas | 1121.80 | J/mol×K | 1000.70 | Joback Calculated Property |
| Cp,gas | 1135.84 | J/mol×K | 1035.13 | Joback Calculated Property |
| Cp,gas | 1148.75 | J/mol×K | 1069.57 | Joback Calculated Property |
| Cp,gas | 1160.57 | J/mol×K | 1104.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Phenylthio)acetic acid, pentadecyl ester.
Sources
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