- InChI
- InChI=1S/C19H31NOS/c1-3-4-5-6-7-8-9-13-16-20(2)19(21)17-22-18-14-11-10-12-15-18/h10-12,14-15H,3-9,13,16-17H2,1-2H3
- InChI Key
- QHPYJVVRVIUJPU-UHFFFAOYSA-N
- Formula
- C19H31NOS
- SMILES
- CCCCCCCCCCN(C)C(=O)CSc1ccccc1
- Molecular Weight1
- 321.52
- 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 | 0.8051 | Relay (1.0) Calculated Property | |
| ΔfG° | 236.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -290.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.378 | Crippen Calculated Property | |
| McVol | 282.710 | ml/mol | McGowan Calculated Property |
| Pc | 1442.44 | kPa | Joback Calculated Property |
| Inp | 2587.00 | NIST | |
| Tboil | 646.84 | K | Relay (1.0) Calculated Property |
| Tc | 854.04 | K | Relay (1.0) Calculated Property |
| Tfus | 317.06 | K | Relay (1.0) Calculated Property |
| Vc | 1.035 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [844.84; 934.49] | J/mol×K | [795.89; 999.49] | 
|
| Cp,gas | 844.84 | J/mol×K | 795.89 | Joback Calculated Property |
| Cp,gas | 862.44 | J/mol×K | 829.82 | Joback Calculated Property |
| Cp,gas | 878.90 | J/mol×K | 863.76 | Joback Calculated Property |
| Cp,gas | 894.28 | J/mol×K | 897.69 | Joback Calculated Property |
| Cp,gas | 908.63 | J/mol×K | 931.62 | Joback Calculated Property |
| Cp,gas | 922.01 | J/mol×K | 965.55 | Joback Calculated Property |
| Cp,gas | 934.49 | J/mol×K | 999.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenylthioacetamide, N-decyl-N-methyl-.
Sources
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