- InChI
- InChI=1S/C4H9NOS/c1-5(2)4(7)6-3/h1-3H3
- InChI Key
- QPKDBLGFWZSDSB-UHFFFAOYSA-N
- Formula
- C4H9NOS
- SMILES
- COC(=S)N(C)C
- Molecular Weight1
- 119.19
- CAS
- 16703-45-0
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| PAff | 900.00 | kJ/mol | NIST |
| BasG | 869.00 | kJ/mol | NIST |
| ΔfG° | 105.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -44.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.68 | kJ/mol | Joback Calculated Property |
| log10WS | -0.50 | Crippen Calculated Property | |
| logPoct/wat | 0.479 | Crippen Calculated Property | |
| McVol | 95.120 | ml/mol | McGowan Calculated Property |
| Pc | 4277.45 | kPa | Joback Calculated Property |
| Tboil | 395.82 | K | Joback Calculated Property |
| Tc | 590.61 | K | Joback Calculated Property |
| Tfus | 223.81 | K | Joback Calculated Property |
| Vc | 0.332 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [168.99; 216.41] | J/mol×K | [395.82; 590.61] | 
|
| Cp,gas | 168.99 | J/mol×K | 395.82 | Joback Calculated Property |
| Cp,gas | 178.10 | J/mol×K | 428.28 | Joback Calculated Property |
| Cp,gas | 186.70 | J/mol×K | 460.75 | Joback Calculated Property |
| Cp,gas | 194.80 | J/mol×K | 493.21 | Joback Calculated Property |
| Cp,gas | 202.43 | J/mol×K | 525.68 | Joback Calculated Property |
| Cp,gas | 209.63 | J/mol×K | 558.14 | Joback Calculated Property |
| Cp,gas | 216.41 | J/mol×K | 590.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to CH3OC(S)N(CH3)2.
Sources
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