- InChI
- InChI=1S/C10H11NS/c12-9-11-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
- InChI Key
- GRUOGLPIAPZLHJ-UHFFFAOYSA-N
- Formula
- C10H11NS
- SMILES
- S=C=NCCCc1ccccc1
- Molecular Weight1
- 177.27
- CAS
- 2627-27-2
- Other Names
-
- 3-Phenylpropyl isothiocyanate
- ΔfH°gas : Enthalpy of formation 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 270.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.57 | kJ/mol | Joback Calculated Property |
| log10WS | -3.04 | Crippen Calculated Property | |
| logPoct/wat | 2.722 | Crippen Calculated Property | |
| McVol | 145.730 | ml/mol | McGowan Calculated Property |
| Pc | 3002.44 | kPa | Joback Calculated Property |
| Inp | [1522.00; 1579.60] |
|
|
| Inp | 1579.60 | NIST | |
| Inp | 1522.00 | NIST | |
| Inp | 1522.00 | NIST | |
| Inp | 1579.60 | NIST | |
| I | 2233.00 | NIST | |
| Tboil | 600.83 | K | Joback Calculated Property |
| Tc | 849.14 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (3-isothiocyanatopropyl)-.
Sources
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