- InChI
- InChI=1S/C20H33NOS/c1-3-5-7-12-16-21(17-13-8-6-4-2)20(22)18-23-19-14-10-9-11-15-19/h9-11,14-15H,3-8,12-13,16-18H2,1-2H3
- InChI Key
- YFLBMMZUHJDQBH-UHFFFAOYSA-N
- Formula
- C20H33NOS
- SMILES
- CCCCCCN(CCCCCC)C(=O)CSc1ccccc1
- Molecular Weight1
- 335.55
- 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° | 244.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -222.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.00 | kJ/mol | Joback Calculated Property |
| log10WS | -6.00 | Crippen Calculated Property | |
| logPoct/wat | 5.768 | Crippen Calculated Property | |
| McVol | 296.800 | ml/mol | McGowan Calculated Property |
| Pc | 1342.74 | kPa | Joback Calculated Property |
| Inp | 2538.00 | NIST | |
| Tboil | 818.77 | K | Joback Calculated Property |
| Tc | 1021.73 | K | Joback Calculated Property |
| Tfus | 458.38 | K | Joback Calculated Property |
| Vc | 1.125 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [903.77; 994.25] | J/mol×K | [818.77; 1021.73] | 
|
| Cp,gas | 903.77 | J/mol×K | 818.77 | Joback Calculated Property |
| Cp,gas | 921.52 | J/mol×K | 852.60 | Joback Calculated Property |
| Cp,gas | 938.13 | J/mol×K | 886.42 | Joback Calculated Property |
| Cp,gas | 953.65 | J/mol×K | 920.25 | Joback Calculated Property |
| Cp,gas | 968.14 | J/mol×K | 954.08 | Joback Calculated Property |
| Cp,gas | 981.65 | J/mol×K | 987.90 | Joback Calculated Property |
| Cp,gas | 994.25 | J/mol×K | 1021.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenylthioacetamide, N,N-dihexyl-.
Sources
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