- InChI
- InChI=1S/C9H12N2S/c1-2-11(9(10)12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,12)
- InChI Key
- XVNPNGPNQJUMSL-UHFFFAOYSA-N
- Formula
- C9H12N2S
- SMILES
- CCN(C(N)=S)c1ccccc1
- Molecular Weight1
- 180.27
- CAS
- 3955-58-6
- 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° | 431.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 255.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.32 | kJ/mol | Joback Calculated Property |
| log10WS | -2.58 | Crippen Calculated Property | |
| logPoct/wat | 1.756 | Crippen Calculated Property | |
| McVol | 145.920 | ml/mol | McGowan Calculated Property |
| Pc | 3886.79 | kPa | Joback Calculated Property |
| Tboil | 587.01 | K | Joback Calculated Property |
| Tc | 828.76 | K | Joback Calculated Property |
| Tfus | 367.61 | K | Joback Calculated Property |
| Vc | 0.514 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [336.97; 401.93] | J/mol×K | [587.01; 828.76] | 
|
| Cp,gas | 336.97 | J/mol×K | 587.01 | Joback Calculated Property |
| Cp,gas | 350.23 | J/mol×K | 627.30 | Joback Calculated Property |
| Cp,gas | 362.37 | J/mol×K | 667.59 | Joback Calculated Property |
| Cp,gas | 373.51 | J/mol×K | 707.88 | Joback Calculated Property |
| Cp,gas | 383.74 | J/mol×K | 748.17 | Joback Calculated Property |
| Cp,gas | 393.18 | J/mol×K | 788.47 | Joback Calculated Property |
| Cp,gas | 401.93 | J/mol×K | 828.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Thiourea, 1-ethyl-1-phenyl-.
Sources
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