- InChI
- InChI=1S/C4H9NSSi/c1-7(2,3)5-4-6/h1-3H3
- InChI Key
- XLTUPERVRFLGLJ-UHFFFAOYSA-N
- Formula
- C4H9NSSi
- SMILES
- C[Si](C)(C)N=C=S
- Molecular Weight1
- 131.27
- CAS
- 2290-65-5
- Other Names
-
- Silane, isothiocyanatotrimethyl-
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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.
- 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 |
|---|---|---|---|
| ω | 0.2027 | Relay (1.0) Calculated Property | |
| ΔfG° | 168.80 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -19.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 40.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.26; 9.30] | eV |
|
| IE | 9.26 | eV | NIST |
| IE | 9.30 ± 0.10 | eV | NIST |
| log10WS | -1.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.924 | Crippen Calculated Property | |
| Pc | 2996.51 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 389.35 | K | Relay (1.0) Calculated Property |
| Tc | 573.71 | K | Relay (1.0) Calculated Property |
| Tfus | 241.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.392 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Trimethylsilyl isothiocyanate.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- NIST Webbook
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