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| CAS No.: | 17081-21-9 |
|---|---|
| Name: | 1,3-Dimethoxypropane |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C5H12O2 |
| Molecular Weight: | 104.149 |
| Synonyms: | 1,3-Dimethoxypropane;1,3-Propanediol dimethyl ether;Propylidene dimethyl ether;Trimethylene glycoldimethyl ether; |
| Density: | 0.841 g/cm3 |
| Melting Point: | -82 °C |
| Boiling Point: | 102.2 °C at 760 mmHg |
| Flash Point: | 7.8 °C |
| PSA: | 18.46000 |
| LogP: | 0.66930 |
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Specification
The 1,3-Dimethoxypropane, with CAS registry number 17081-21-9, has the systematic name of 1,3-dimethoxypropane. And its IUPAC name is the same one. Besides this, it is also called propane, 1,3-dimethoxy-. What's more, its system generated number is 0017081219.
Physical properties about this chemical are: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): 0.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.58; (8)ACD/KOC (pH 7.4): 28.58; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.38; (14)Molar Refractivity: 28.7 cm3; (15)Molar Volume: 123.7 cm3; (16)Polarizability: 11.37×10-24cm3; (17)Surface Tension: 22.7 dyne/cm; (18)Enthalpy of Vaporization: 32.72 kJ/mol; (19)Vapour Pressure: 39.3 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(C)CCCOC
(2)InChI: InChI=1/C5H12O2/c1-6-4-3-5-7-2/h3-5H2,1-2H3
(3)InChIKey: UUAMLBIYJDPGFU-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C5H12O2/c1-6-4-3-5-7-2/h3-5H2,1-2H3
(5)Std. InChIKey: UUAMLBIYJDPGFU-UHFFFAOYSA-N