- InChI
- InChI=1S/C19H24N2S/c1-13(2)15-5-9-17(10-6-15)20-19(22)21-18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3,(H2,20,21,22)
- InChI Key
- CISCVXHQTKKFNJ-UHFFFAOYSA-N
- Formula
- C19H24N2S
- SMILES
-
CC(C)c1ccc(NC(=S)Nc2ccc(C(C)C)
cc2)cc1 - Molecular Weight1
- 312.47
- CAS
- 116496-66-3
- 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 | 0.7400 | Relay (1.0) Calculated Property | |
| ΔfG° | 605.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 77.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.742 | Crippen Calculated Property | |
| McVol | 263.060 | ml/mol | McGowan Calculated Property |
| Pc | 1930.44 | kPa | Joback Calculated Property |
| Tboil | 645.49 | K | Relay (1.0) Calculated Property |
| Tc | 1001.11 | K | Relay (1.0) Calculated Property |
| Tfus | 456.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.913 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [778.11; 859.49] | J/mol×K | [866.94; 1109.33] | 
|
| Cp,gas | 778.11 | J/mol×K | 866.94 | Joback Calculated Property |
| Cp,gas | 793.84 | J/mol×K | 907.34 | Joback Calculated Property |
| Cp,gas | 808.52 | J/mol×K | 947.74 | Joback Calculated Property |
| Cp,gas | 822.29 | J/mol×K | 988.13 | Joback Calculated Property |
| Cp,gas | 835.28 | J/mol×K | 1028.53 | Joback Calculated Property |
| Cp,gas | 847.64 | J/mol×K | 1068.93 | Joback Calculated Property |
| Cp,gas | 859.49 | J/mol×K | 1109.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-diisopropyl diphenyl thiourea.
Sources
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