- InChI
- InChI=1S/C13H17NO2S/c15-13(14-9-11-5-4-8-16-11)10-17-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,14,15)
- InChI Key
- HYFXXCQTXREDNT-UHFFFAOYSA-N
- Formula
- C13H17NO2S
- SMILES
- O=C(CSc1ccccc1)NCC1CCCO1
- Molecular Weight1
- 251.34
- 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.
- 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° | 115.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -163.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.57 | kJ/mol | Joback Calculated Property |
| log10WS | -2.79 | Crippen Calculated Property | |
| logPoct/wat | 2.074 | Crippen Calculated Property | |
| McVol | 193.180 | ml/mol | McGowan Calculated Property |
| Pc | 2856.62 | kPa | Joback Calculated Property |
| Inp | [2121.00; 2121.00] |
|
|
| Inp | 2121.00 | NIST | |
| Inp | 2121.00 | NIST | |
| Tboil | 738.57 | K | Joback Calculated Property |
| Tc | 984.44 | K | Joback Calculated Property |
| Tfus | 437.15 | K | Joback Calculated Property |
| Vc | 0.713 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [546.79; 623.36] | J/mol×K | [738.57; 984.44] |
|
| Cp,gas | 546.79 | J/mol×K | 738.57 | Joback Calculated Property |
| Cp,gas | 562.77 | J/mol×K | 779.55 | Joback Calculated Property |
| Cp,gas | 577.37 | J/mol×K | 820.53 | Joback Calculated Property |
| Cp,gas | 590.65 | J/mol×K | 861.51 | Joback Calculated Property |
| Cp,gas | 602.70 | J/mol×K | 902.48 | Joback Calculated Property |
| Cp,gas | 613.58 | J/mol×K | 943.46 | Joback Calculated Property |
| Cp,gas | 623.36 | J/mol×K | 984.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-tetrahydrofurfuryl-2-phenylthio-.
Sources
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