![Bicyclo[2.2.1]heptane, 2-isothiocyanato-, exo-](/cid/40-666-8/Bicyclo-2-2-1-heptane-2-isothiocyanato-exo.png "Bicyclo[2.2.1]heptane, 2-isothiocyanato-, exo-")
- InChI
- InChI=1S/C8H11NS/c10-5-9-8-4-6-1-2-7(8)3-6/h6-8H,1-4H2
- InChI Key
- RBGDFYZLQKZUCO-UHFFFAOYSA-N
- Formula
- C8H11NS
- SMILES
- S=C=NC1CC2CCC1C2
- Molecular Weight1
- 153.25
- CAS
- 18530-33-1
- Other Names
-
- exo-bicyclo[2.2.1]hept-2-yl 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).
- 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 | 0.2916 | Relay (1.0) Calculated Property | |
| ΔfG° | 222.29 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 117.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 59.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.278 | Crippen Calculated Property | |
| McVol | 119.590 | ml/mol | McGowan Calculated Property |
| Pc | 3411.87 | kPa | Joback Calculated Property |
| Tboil | 482.06 | K | Relay (1.0) Calculated Property |
| Tc | 752.50 | K | Relay (1.0) Calculated Property |
| Tfus | 322.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.407 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![Pyrrolidine, 1-tricyclo[4.3.1.12,5]undec-10-yl-, stereoisomer.](data:image/png;base64,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)
Find more compounds similar to Bicyclo[2.2.1]heptane, 2-isothiocyanato-, exo-.
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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