- InChI
- InChI=1S/C17H20N2S/c1-3-13-9-5-7-11-15(13)18-17(20)19-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3,(H2,18,19,20)
- InChI Key
- WYMLGVPROUZGCI-UHFFFAOYSA-N
- Formula
- C17H20N2S
- SMILES
- CCc1ccccc1NC(=S)Nc1ccccc1CC
- Molecular Weight1
- 284.43
- Other Names
-
- 2,2'-Diethylthiocarbanilide
- 1,3-(Bis(2-ethylphenyl))thiourea
- 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).
- 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 | 0.7208 | Relay (1.0) Calculated Property | |
| ΔfG° | 593.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 141.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.620 | Crippen Calculated Property | |
| McVol | 234.880 | ml/mol | McGowan Calculated Property |
| Pc | 2267.57 | kPa | Joback Calculated Property |
| Tboil | 630.04 | K | Relay (1.0) Calculated Property |
| Tc | 972.54 | K | Relay (1.0) Calculated Property |
| Tfus | 430.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.812 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [663.69; 739.68] | J/mol×K | [822.06; 1064.51] | 
|
| Cp,gas | 663.69 | J/mol×K | 822.06 | Joback Calculated Property |
| Cp,gas | 678.46 | J/mol×K | 862.47 | Joback Calculated Property |
| Cp,gas | 692.23 | J/mol×K | 902.88 | Joback Calculated Property |
| Cp,gas | 705.10 | J/mol×K | 943.28 | Joback Calculated Property |
| Cp,gas | 717.22 | J/mol×K | 983.69 | Joback Calculated Property |
| Cp,gas | 728.70 | J/mol×K | 1024.10 | Joback Calculated Property |
| Cp,gas | 739.68 | J/mol×K | 1064.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2'-Diethylthiocarbanilide.
Sources
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