- InChI
- InChI=1S/C5H9NOS/c1-3-4-6-5(8)7-2/h3H,1,4H2,2H3,(H,6,8)
- InChI Key
- KFQCYQPZTRDLBX-UHFFFAOYSA-N
- Formula
- C5H9NOS
- SMILES
- C=CCNC(=S)OC
- Molecular Weight1
- 131.20
- CAS
- 41596-55-8
- 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° | 180.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 46.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.63 | kJ/mol | Joback Calculated Property |
| log10WS | -1.39 | Crippen Calculated Property | |
| logPoct/wat | 0.693 | Crippen Calculated Property | |
| McVol | 104.910 | ml/mol | McGowan Calculated Property |
| Pc | 4067.32 | kPa | Joback Calculated Property |
| Inp | 1115.00 | NIST | |
| I | [1948.00; 1948.00] |
|
|
| I | 1948.00 | NIST | |
| I | 1948.00 | NIST | |
| Tboil | 453.11 | K | Joback Calculated Property |
| Tc | 656.21 | K | Joback Calculated Property |
| Tfus | 253.51 | K | Joback Calculated Property |
| Vc | 0.386 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [200.14; 247.38] | J/mol×K | [453.11; 656.21] |
|
| Cp,gas | 200.14 | J/mol×K | 453.11 | Joback Calculated Property |
| Cp,gas | 209.25 | J/mol×K | 486.96 | Joback Calculated Property |
| Cp,gas | 217.83 | J/mol×K | 520.81 | Joback Calculated Property |
| Cp,gas | 225.90 | J/mol×K | 554.66 | Joback Calculated Property |
| Cp,gas | 233.49 | J/mol×K | 588.51 | Joback Calculated Property |
| Cp,gas | 240.64 | J/mol×K | 622.36 | Joback Calculated Property |
| Cp,gas | 247.38 | J/mol×K | 656.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-Allyl O-methyl thiocarbamate.
Sources
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