- InChI
- InChI=1S/C8H10N2S/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)
- InChI Key
- UCGFRIAOVLXVKL-UHFFFAOYSA-N
- Formula
- C8H10N2S
- SMILES
- NC(=S)NCc1ccccc1
- Molecular Weight1
- 166.24
- CAS
- 621-83-0
- Other Names
-
- Benzylthiourea
- Urea, 1-benzyl-2-thio-
- 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).
- 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° | 401.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 261.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.48 | kJ/mol | Joback Calculated Property |
| log10WS | -2.74 | Crippen Calculated Property | |
| logPoct/wat | 1.020 | Crippen Calculated Property | |
| McVol | 131.830 | ml/mol | McGowan Calculated Property |
| Pc | 4486.22 | kPa | Joback Calculated Property |
| Tboil | 601.86 | K | Joback Calculated Property |
| Tc | 850.91 | K | Joback Calculated Property |
| Tfus | 376.53 | K | Joback Calculated Property |
| Vc | 0.475 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [300.92; 357.26] | J/mol×K | [601.86; 850.91] | 
|
| Cp,gas | 300.92 | J/mol×K | 601.86 | Joback Calculated Property |
| Cp,gas | 312.45 | J/mol×K | 643.37 | Joback Calculated Property |
| Cp,gas | 322.98 | J/mol×K | 684.88 | Joback Calculated Property |
| Cp,gas | 332.63 | J/mol×K | 726.39 | Joback Calculated Property |
| Cp,gas | 341.49 | J/mol×K | 767.89 | Joback Calculated Property |
| Cp,gas | 349.67 | J/mol×K | 809.40 | Joback Calculated Property |
| Cp,gas | 357.26 | J/mol×K | 850.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thiourea, (phenylmethyl)-.
Sources
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