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Propane, 1,3-dimethoxy- (17081-21-9)

Identification
Name:Propane, 1,3-dimethoxy-
Synonyms:1,3-Dimethoxypropane;1,3-Propanediol dimethyl ether;Propylidene dimethyl ether;Trimethylene glycoldimethyl ether;
CAS:17081-21-9
Molecular Formula: C5H12O2
Molecular Weight: 104.1476
InChI: InChI=1S/C5H12O2/c1-6-4-3-5-7-2/h3-5H2,1-2H3
Molecular Structure: (C5H12O2) 1,3-Dimethoxypropane;1,3-Propanediol dimethyl ether;Propylidene dimethyl ether;Trimethylene glycoldi...
Properties
Melting Point: -82 ºC
Density:0.841 g/cm3
Refractive index:1.38
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

Safety Data