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CAS No.: | 56105-20-5 |
---|---|
Name: | 3-cyclopropylpropanoyl chloride |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H9ClO |
Molecular Weight: | 132.59 |
Synonyms: | 3-Cyclopropanepropionylchloride;3-Cyclopropylpropionyl chloride;Cyclopropanepropionyl chloride; |
Density: | 1.145 g/cm3 |
Boiling Point: | 158.922 °C at 760 mmHg |
Flash Point: | 55.419 °C |
PSA: | 17.07000 |
LogP: | 1.94200 |
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The Cyclopropanepropanoylchloride, with CAS registry number 56105-20-5, has the systematic name of 3-cyclopropylpropanoyl chloride. And the chemical formula of this chemical is C6H9ClO.
Physical properties of Cyclopropanepropanoylchloride: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 16; (6)ACD/BCF (pH 7.4): 16; (7)ACD/KOC (pH 5.5): 253; (8)ACD/KOC (pH 7.4): 253; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 32.674 cm3; (15)Molar Volume: 115.823 cm3; (16)Polarizability: 12.953×10-24cm3; (17)Surface Tension: 37.985 dyne/cm; (18)Density: 1.145 g/cm3; (19)Flash Point: 55.419 °C; (20)Enthalpy of Vaporization: 39.557 kJ/mol; (21)Boiling Point: 158.922 °C at 760 mmHg; (22)Vapour Pressure: 2.565 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)CCC1CC1
(2)InChI: InChI=1/C6H9ClO/c7-6(8)4-3-5-1-2-5/h5H,1-4H2
(3)InChIKey: ZIEVFLGQZXYLRV-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H9ClO/c7-6(8)4-3-5-1-2-5/h5H,1-4H2
(5)Std. InChIKey: ZIEVFLGQZXYLRV-UHFFFAOYSA-N