- InChI
- InChI=1S/C12H17NOS/c1-2-10-14-12(15)13-9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,13,15)
- InChI Key
- SROGOSNHDATCGM-UHFFFAOYSA-N
- Formula
- C12H17NOS
- SMILES
- CCCOC(=S)NCCc1ccccc1
- Molecular Weight1
- 223.33
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 264.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 13.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.16 | kJ/mol | Joback Calculated Property |
| log10WS | -3.57 | Crippen Calculated Property | |
| logPoct/wat | 2.530 | Crippen Calculated Property | |
| McVol | 184.080 | ml/mol | McGowan Calculated Property |
| Pc | 2627.15 | kPa | Joback Calculated Property |
| Inp | [1875.00; 1875.00] |
|
|
| Inp | 1875.00 | NIST | |
| Inp | 1875.00 | NIST | |
| I | 2929.00 | NIST | |
| Tboil | 643.27 | K | Joback Calculated Property |
| Tc | 863.22 | K | Joback Calculated Property |
| Tfus | 360.58 | K | Joback Calculated Property |
| Vc | 0.689 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [460.78; 536.04] | J/mol×K | [643.27; 863.22] |
|
| Cp,gas | 460.78 | J/mol×K | 643.27 | Joback Calculated Property |
| Cp,gas | 475.54 | J/mol×K | 679.93 | Joback Calculated Property |
| Cp,gas | 489.32 | J/mol×K | 716.59 | Joback Calculated Property |
| Cp,gas | 502.20 | J/mol×K | 753.25 | Joback Calculated Property |
| Cp,gas | 514.24 | J/mol×K | 789.90 | Joback Calculated Property |
| Cp,gas | 525.50 | J/mol×K | 826.56 | Joback Calculated Property |
| Cp,gas | 536.04 | J/mol×K | 863.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-Phenethyl O-propyl thiocarbamate.
Sources
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