| Identification | |
| Name: | 4-Chloro-1-butyne |
| Synonyms: | 4-Chloro-1-butyne |
| CAS: | 51908-64-6 |
| Molecular Formula: | C4H5Cl |
| Molecular Weight: | 88.54 |
| InChI: | InChI=1/C4H5Cl/c1-2-3-4-5/h1H,3-4H2 |
| Molecular Structure: |  |
| Properties | |
| Density: | 0.986 |
| Refractive index: | 1.4376-1.4420 |
| Solubility: | 3730 mg/L at 25 °C |
| Specification: |
The IUPAC name of 4-Chloro-1-butyne is 4-Chlorobut-1-yne. With the CAS registry number 51908-64-6, it is also named as 1-Butyne, 4-chloro-. In addition, its molecular formula is C4H5Cl and its molecular weight is 88.54. The other characteristics of 4-Chloro-1-butyne can be summarized as: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.42; (5)ACD/BCF (pH 5.5): 7.13; (6)ACD/BCF (pH 7.4): 7.13; (7)ACD/KOC (pH 5.5): 141.96; (8)ACD/KOC (pH 7.4): 141.96; (9)H bond acceptors: 0; (10)H bond donors: 0; (11)Freely Rotating Bonds: 1 ; (12)Index of Refraction: 1.431; (13)Molar Refractivity: 23.25 cm3; (14)Molar Volume: 89.7 cm3; (15)Polarizability: 9.21×10-24cm3; (16)Surface Tension: 29.3 dyne/cm; (17)Density: 0.986 g/cm3; (18)Flash Point: 8.2 °C; (19)Enthalpy of Vaporization: 32.22 kJ/mol; (20)Boiling Point: 96.5 °C at 760 mmHg; (21)Vapour Pressure: 49.6 mmHg at 25 °C; (22)Water Solubility: 3730 mg/L at 25 °C. People can use the following data to convert to the molecule structure. |
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