-
Name
PROPYL-1,1,3,3,3-D5 ALCOHOL
- EINECS
- CAS No. 188894-71-5
- Density 0.862 g/cm3
- Solubility
- Melting Point
- Formula C3H3D5O
- Boiling Point 95.784 °C at 760 mmHg
- Molecular Weight 65.12582889
- Flash Point 15 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms PROPYL-1,1,3,3,3-D5 ALCOHOL;n-Propyl--d5 Alcohol
- PSA 20.23000
- LogP 0.38870
1-Propan-1,1,3,3,3-d5-ol(9CI) Specification
The 1-Propan-1,1,3,3,3-d5-ol(9CI) is an organic compound with the formula C3H3D5O. The systematic name of this chemical is (1,1,3,3,3-2H5)Propan-1-ol. With the CAS registry number 188894-71-5, it is also named as Propyl-1,1,3,3,3-d5 Alcohol.
Physical properties about 1-Propan-1,1,3,3,3-d5-ol(9CI) are: (1)ACD/LogP: 0.33; (2)ACD/LogD (pH 5.5): 0.329; (3)ACD/LogD (pH 7.4): 0.329; (4)ACD/BCF (pH 5.5): 1.047; (5)ACD/BCF (pH 7.4): 1.047; (6)ACD/KOC (pH 5.5): 35.974; (7)ACD/KOC (pH 7.4): 35.974; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 20.23 Å2; (12)Index of Refraction: 1.38; (13)Molar Refractivity: 17.482 cm3; (14)Molar Volume: 75.562 cm3; (15)Polarizability: 6.931×10-24cm3; (16)Surface Tension: 24.576 dyne/cm; (17)Density: 0.862 g/cm3; (18)Flash Point: 15 °C; (19)Enthalpy of Vaporization: 41.44 kJ/mol; (20)Boiling Point: 95.784 °C at 760 mmHg; (21)Vapour Pressure: 26.317 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])([2H])CC([2H])([2H])O
(2)InChI: InChI=1/C3H8O/c1-2-3-4/h4H,2-3H2,1H3/i1D3,3D2
(3)InChIKey: BDERNNFJNOPAEC-WNWXXORZED
(4)Std. InChI: InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3/i1D3,3D2
(5)Std. InChIKey: BDERNNFJNOPAEC-WNWXXORZSA-N
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