- InChI
- InChI=1S/C11H16N2S/c1-11(2,3)13-10(14)12-9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,12,13,14)
- InChI Key
- JHMCTNQTJNGVRX-UHFFFAOYSA-N
- Formula
- C11H16N2S
- SMILES
- CC(C)(C)NC(S)=Nc1ccccc1
- Molecular Weight1
- 208.32
- CAS
- 14327-04-9
- Other Names
-
- Urea, 1-tert-butyl-3-phenyl-2-thio-
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.5443 | Relay (... Calculated Property | |
| ΔfG° | 274.74 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 100.43 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 84.25 | kJ/mol | Relay (... Calculated Property |
| IE | 7.85 ± 0.05 | eV | NIST |
| log10WS | -3.83 | Relay (... Calculated Property | |
| logPoct/wat | 2.992 | Crippen Calculated Property | |
| McVol | 174.100 | ml/mol | McGowan Calculated Property |
| Pc | 2637.96 | kPa | Joback Calculated Property |
| Tboil | 543.87 | K | Relay (... Calculated Property |
| Tc | 801.28 | K | Relay (... Calculated Property |
| Tfus | 435.66 | K | Relay (... Calculated Property |
| Vc | 0.589 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Thiourea, N-(1,1-dimethylethyl)-N'-phenyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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