- InChI
- InChI=1S/C5H11NOS/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H,6,8)
- InChI Key
- CMGLSTYFWSQNEC-UHFFFAOYSA-N
- Formula
- C5H11NOS
- SMILES
- CCNC(=S)OCC
- Molecular Weight1
- 133.21
- CAS
- 998-98-1
- 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 | 0.4140 | Relay (1.0) Calculated Property | |
| ΔfG° | 92.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -236.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.917 | Crippen Calculated Property | |
| McVol | 109.210 | ml/mol | McGowan Calculated Property |
| Pc | 3857.88 | kPa | Joback Calculated Property |
| Inp | 1121.00 | NIST | |
| I | [1878.00; 1878.00] |
|
|
| I | 1878.00 | NIST | |
| I | 1878.00 | NIST | |
| Tboil | 461.90 | K | Relay (1.0) Calculated Property |
| Tc | 653.06 | K | Relay (1.0) Calculated Property |
| Tfus | 269.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.387 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.31; 268.21] | J/mol×K | [456.43; 655.16] |
|
| Cp,gas | 216.31 | J/mol×K | 456.43 | Joback Calculated Property |
| Cp,gas | 226.17 | J/mol×K | 489.55 | Joback Calculated Property |
| Cp,gas | 235.51 | J/mol×K | 522.67 | Joback Calculated Property |
| Cp,gas | 244.36 | J/mol×K | 555.79 | Joback Calculated Property |
| Cp,gas | 252.75 | J/mol×K | 588.91 | Joback Calculated Property |
| Cp,gas | 260.69 | J/mol×K | 622.03 | Joback Calculated Property |
| Cp,gas | 268.21 | J/mol×K | 655.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-Ethyl O-ethyl thiocarbamate.
Sources
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