- InChI
- InChI=1S/C7H13NOS/c1-3-5-8-7(10)9-6-4-2/h3H,1,4-6H2,2H3,(H,8,10)
- InChI Key
- BRQFNNQUZPSLIR-UHFFFAOYSA-N
- Formula
- C7H13NOS
- SMILES
- C=CCNC(=S)OCCC
- Molecular Weight1
- 159.25
- CAS
- 89895-26-1
- 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° | 197.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 5.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.08 | kJ/mol | Joback Calculated Property |
| log10WS | -2.23 | Crippen Calculated Property | |
| logPoct/wat | 1.474 | Crippen Calculated Property | |
| McVol | 133.090 | ml/mol | McGowan Calculated Property |
| Pc | 3228.31 | kPa | Joback Calculated Property |
| Inp | 1286.00 | NIST | |
| I | [2069.00; 2069.00] |
|
|
| I | 2069.00 | NIST | |
| I | 2069.00 | NIST | |
| Tboil | 498.87 | K | Joback Calculated Property |
| Tc | 696.81 | K | Joback Calculated Property |
| Tfus | 276.05 | K | Joback Calculated Property |
| Vc | 0.497 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [281.17; 340.75] | J/mol×K | [498.87; 696.81] |
|
| Cp,gas | 281.17 | J/mol×K | 498.87 | Joback Calculated Property |
| Cp,gas | 292.56 | J/mol×K | 531.86 | Joback Calculated Property |
| Cp,gas | 303.31 | J/mol×K | 564.85 | Joback Calculated Property |
| Cp,gas | 313.48 | J/mol×K | 597.84 | Joback Calculated Property |
| Cp,gas | 323.08 | J/mol×K | 630.83 | Joback Calculated Property |
| Cp,gas | 332.16 | J/mol×K | 663.82 | Joback Calculated Property |
| Cp,gas | 340.75 | J/mol×K | 696.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-Allyl O-propyl thiocarbamate.
Sources
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