- InChI
- InChI=1S/C6H9NS/c1-2-3-4-5-7-6-8/h2H,1,3-5H2
- InChI Key
- DBISBKDNOKIADM-UHFFFAOYSA-N
- Formula
- C6H9NS
- SMILES
- C=CCCCN=C=S
- Molecular Weight1
- 127.21
- Other Names
-
- 4-pentenyl isothiocyanate
- 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.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-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 | 0.3061 | Relay (1.0) Calculated Property | |
| ΔfG° | 233.69 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 148.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 49.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.055 | Crippen Calculated Property | |
| McVol | 108.830 | ml/mol | McGowan Calculated Property |
| Pc | 3341.24 | kPa | Joback Calculated Property |
| Inp | [1075.00; 1161.00] |
|
|
| Inp | 1086.00 | NIST | |
| Inp | 1075.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Inp | 1075.00 | NIST | |
| Tboil | 443.04 | K | Relay (1.0) Calculated Property |
| Tc | 651.63 | K | Relay (1.0) Calculated Property |
| Tfus | 203.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.373 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-isothiocyano-1-pentene.
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
- Joback Method
- McGowan Method
- NIST Webbook
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