- InChI
- InChI=1S/C7H4ClNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
- InChI Key
- MZZVFXMTZTVUFO-UHFFFAOYSA-N
- Formula
- C7H4ClNS
- SMILES
- S=C=Nc1ccc(Cl)cc1
- Molecular Weight1
- 169.63
- CAS
- 2131-55-7
- Other Names
-
- p-Chlorophenyl isothiocyanate
- Benzene, 1-chloro-4-isothiocyanato-
- Isothiocyanic acid, p-chlorophenyl ester
- Isothiocyanic acid, 4-chlorophenyl ester
- 1-Chloro-4-isothiocyanatobenzene
- 4-Chlor-phenyl-isothiocyanat
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 305.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.94 | kJ/mol | Joback Calculated Property |
| log10WS | -3.07 | Crippen Calculated Property | |
| logPoct/wat | 3.074 | Crippen Calculated Property | |
| McVol | 115.700 | ml/mol | McGowan Calculated Property |
| Pc | 3960.52 | kPa | Joback Calculated Property |
| Tboil | 574.60 | K | Joback Calculated Property |
| Tc | 845.67 | K | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 402.00 ± 1.00 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to 4-Chlorophenyl isothiocyanate.
Sources
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