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| CAS No.: | 761374-88-3 |
|---|---|
| Name: | 1-CHLOROPROPANE-D7 |
| Molecular Structure: | |
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| Formula: | C3ClD7 |
| Molecular Weight: | 85.583812446 |
| Synonyms: | 1-Chloropropane-D7; |
| Density: | 0.957 g/cm3 |
| Boiling Point: | 46.845 °C at 760 mmHg |
| PSA: | 0.00000 |
| LogP: | 1.63520 |
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Specification
The cas register number of 1-Chloropropane-D7 is 761374-88-3. It also can be called as Propane-1,1,1,2,2,3,3-d7,3-chloro- (9CI) and the Systematic name about this chemical is 1-Chloro(2H7)propane.
Physical properties about 1-Chloropropane-D7 are: (1)ACD/LogP: 2.13; (2)ACD/LogD (pH 5.5): 2.132; (3)ACD/LogD (pH 7.4): 2.132; (4)ACD/BCF (pH 5.5): 24.565; (5)ACD/BCF (pH 7.4): 24.565; (6)ACD/KOC (pH 5.5): 344.196; (7)ACD/KOC (pH 7.4): 344.196; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.382; (10)Molar Refractivity: 20.797 cm3; (11)Molar Volume: 89.44 cm3; (12)Polarizability: 8.244x10-24cm3; (13)Surface Tension: 20.344 dyne/cm; (14)Enthalpy of Vaporization: 27.18 kJ/mol; (15)Boiling Point: 46.845 °C at 760 mmHg; (16)Vapour Pressure: 343.477 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])Cl
(2)InChI: InChI=1/C3H7Cl/c1-2-3-4/h2-3H2,1H3/i1D3,2D2,3D2
(3)InChIKey: SNMVRZFUUCLYTO-NCKGIQLSES
(4)Std. InChI: InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3/i1D3,2D2,3D2
(5)Std. InChIKey: SNMVRZFUUCLYTO-NCKGIQLSSA-N