- InChI
- InChI=1S/C21H24O4S/c1-3-4-5-10-15-24-20(22)16-11-6-7-12-17(16)21(23)25-18-13-8-9-14-19(18)26-2/h6-9,11-14H,3-5,10,15H2,1-2H3
- InChI Key
- PCSXTVMEYXNNJQ-UHFFFAOYSA-N
- Formula
- C21H24O4S
- SMILES
-
CCCCCCOC(=O)c1ccccc1C(=O)Oc1cc
ccc1SC - Molecular Weight1
- 372.48
- 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° | -103.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -474.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.34 | kJ/mol | Joback Calculated Property |
| log10WS | -6.64 | Crippen Calculated Property | |
| logPoct/wat | 5.365 | Crippen Calculated Property | |
| McVol | 290.460 | ml/mol | McGowan Calculated Property |
| Pc | 1609.00 | kPa | Joback Calculated Property |
| Inp | [3335.00; 3335.00] |
|
|
| Inp | 3335.00 | NIST | |
| Inp | 3335.00 | NIST | |
| Tboil | 964.56 | K | Joback Calculated Property |
| Tc | 1200.50 | K | Joback Calculated Property |
| Tfus | 583.03 | K | Joback Calculated Property |
| Vc | 1.097 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [890.22; 940.88] | J/mol×K | [964.56; 1200.50] |
|
| Cp,gas | 890.22 | J/mol×K | 964.56 | Joback Calculated Property |
| Cp,gas | 902.37 | J/mol×K | 1003.88 | Joback Calculated Property |
| Cp,gas | 912.99 | J/mol×K | 1043.21 | Joback Calculated Property |
| Cp,gas | 922.12 | J/mol×K | 1082.53 | Joback Calculated Property |
| Cp,gas | 929.79 | J/mol×K | 1121.85 | Joback Calculated Property |
| Cp,gas | 936.04 | J/mol×K | 1161.18 | Joback Calculated Property |
| Cp,gas | 940.88 | J/mol×K | 1200.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, hexyl 2-(methylthio)phenyl ester.
Sources
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