- InChI
- InChI=1S/C9H11NOS/c1-11-9(12)10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,12)
- InChI Key
- HLVIWUVHOXMUET-UHFFFAOYSA-N
- Formula
- C9H11NOS
- SMILES
- COC(=S)NCc1ccccc1
- Molecular Weight1
- 181.25
- CAS
- 65263-72-1
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 | 0.4573 | Relay (1.0) Calculated Property | |
| ΔfG° | 238.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -57.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.708 | Crippen Calculated Property | |
| McVol | 141.810 | ml/mol | McGowan Calculated Property |
| Pc | 3615.89 | kPa | Joback Calculated Property |
| Inp | 1608.00 | NIST | |
| I | 2766.00 | NIST | |
| Tboil | 551.29 | K | Relay (1.0) Calculated Property |
| Tc | 779.24 | K | Relay (1.0) Calculated Property |
| Tfus | 314.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.484 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [316.37; 379.94] | J/mol×K | [574.63; 807.48] | 
|
| Cp,gas | 316.37 | J/mol×K | 574.63 | Joback Calculated Property |
| Cp,gas | 329.07 | J/mol×K | 613.44 | Joback Calculated Property |
| Cp,gas | 340.85 | J/mol×K | 652.25 | Joback Calculated Property |
| Cp,gas | 351.75 | J/mol×K | 691.05 | Joback Calculated Property |
| Cp,gas | 361.86 | J/mol×K | 729.86 | Joback Calculated Property |
| Cp,gas | 371.24 | J/mol×K | 768.67 | Joback Calculated Property |
| Cp,gas | 379.94 | J/mol×K | 807.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-Benzyl O-methyl thiocarbamate.
Sources
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