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CAS No.: | 62702-36-7 |
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Name: | 1,3-bis(2-hydroxyethoxy)propan-2-ol |
Molecular Structure: | |
Formula: | C7H16O5 |
Molecular Weight: | 180.201 |
Synonyms: | 1,3-Bis(2-hydroxyethoxy)-2-propanol;1,3-bis(2-hydroxyethoxy)propan-2-ol;2-propanol, 1,3-bis(2-hydroxyethoxy)-; |
EINECS: | 263-704-9 |
Density: | 1.203 g/cm3 |
Boiling Point: | 344.8 °C at 760 mmHg |
Flash Point: | 162.3 °C |
PSA: | 79.15000 |
LogP: | -1.63490 |
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The 2-Propanol,1,3-bis(2-hydroxyethoxy)-, with the CAS registry number 62702-36-7 and EINECS registry number263-704-9, has the systematic name of 1,3-bis(2-hydroxyethoxy)propan-2-ol. And the molecular formula of this chemical is C7H16O5. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of 2-Propanol,1,3-bis(2-hydroxyethoxy)- are as following: (1)ACD/LogP: -1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.96; (4)ACD/LogD (pH 7.4): -1.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.05; (8)ACD/KOC (pH 7.4): 2.05; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 46.15 Å2; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 42.53 cm3; (15)Molar Volume: 149.7 cm3; (16)Polarizability: 16.86×10-24cm3; (17)Surface Tension: 49.7 dyne/cm; (18)Density: 1.203 g/cm3; (19)Flash Point: 162.3 °C; (20)Enthalpy of Vaporization: 68.19 kJ/mol; (21)Boiling Point: 344.8 °C at 760 mmHg; (22)Vapour Pressure: 4.08E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(CC(O)COCCO)CCO
(2)InChI: InChI=1/C7H16O5/c8-1-3-11-5-7(10)6-12-4-2-9/h7-10H,1-6H2
(3)InChIKey: ODMOFUHYUDOOFU-UHFFFAOYAW