- InChI
- InChI=1S/C24H40O2S/c1-3-5-6-7-8-9-10-11-12-14-18-22(17-4-2)26-24(25)21-27-23-19-15-13-16-20-23/h13,15-16,19-20,22H,3-12,14,17-18,21H2,1-2H3
- InChI Key
- WIZLMQDSYOEMEG-UHFFFAOYSA-N
- Formula
- C24H40O2S
- SMILES
-
CCCCCCCCCCCCC(CCC)OC(=O)CSc1cc
ccc1 - Molecular Weight1
- 392.64
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9787 | Relay (1.0) Calculated Property | |
| ΔfG° | 60.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -597.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.802 | Crippen Calculated Property | |
| McVol | 349.050 | ml/mol | McGowan Calculated Property |
| Pc | 1027.28 | kPa | Joback Calculated Property |
| Inp | [2768.00; 2768.00] |
|
|
| Inp | 2768.00 | NIST | |
| Inp | 2768.00 | NIST | |
| Tboil | 671.06 | K | Relay (1.0) Calculated Property |
| Tc | 871.41 | K | Relay (1.0) Calculated Property |
| Tfus | 296.26 | K | Relay (1.0) Calculated Property |
| Vc | 1.277 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1134.47; 1223.08] | J/mol×K | [919.83; 1129.77] |
|
| Cp,gas | 1134.47 | J/mol×K | 919.83 | Joback Calculated Property |
| Cp,gas | 1152.43 | J/mol×K | 954.82 | Joback Calculated Property |
| Cp,gas | 1169.04 | J/mol×K | 989.81 | Joback Calculated Property |
| Cp,gas | 1184.36 | J/mol×K | 1024.80 | Joback Calculated Property |
| Cp,gas | 1198.44 | J/mol×K | 1059.79 | Joback Calculated Property |
| Cp,gas | 1211.32 | J/mol×K | 1094.78 | Joback Calculated Property |
| Cp,gas | 1223.08 | J/mol×K | 1129.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Phenylthio)acetic acid, 4-hexadecyl ester.
Sources
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