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111-89-7

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Basic Information
CAS No.: 111-89-7
Name: 1,5-DIMETHOXYPENTANE
Article Data: 7
Molecular Structure:
Molecular Structure of 111-89-7 (1,5-DIMETHOXYPENTANE)
Formula: C7H16O2
Molecular Weight: 132.203
Synonyms: 1,5-Dimethoxypentane;1,5-Pentanediol dimethyl ether;2,8-Dioxanonane;NSC 97204;
Density: 0.843 g/cm3
Boiling Point: 146.3 °C at 760 mmHg
Flash Point: 26.6 °C
Transport Information: UN 1993 3
PSA: 18.46000
LogP: 1.44950
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Specification

The Pentane, 1,5-dimethoxy- is an organic compound with the formula C7H16O2. The IUPAC name of this chemical is 1,5-Dimethoxypentane. With the CAS registry number 111-89-7, it is also named as 2,8-Dioxanonane. The product's categories are Anisoles, Alkyloxy Compounds and Phenylacetates; Ethers; Organic Building Blocks; Oxygen Compounds. Besides, its molecular weight is 132.2.

Physical properties about Pentane, 1,5-dimethoxy- are: (1)ACD/LogP: 0.68; (2)ACD/LogD (pH 5.5): 0.68; (3)ACD/LogD (pH 7.4): 0.68; (4)ACD/BCF (pH 5.5): 1.92; (5)ACD/BCF (pH 7.4): 1.92; (6)ACD/KOC (pH 5.5): 55.54; (7)ACD/KOC (pH 7.4): 55.54; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 18.46 Å2; (11)Index of Refraction: 1.399; (12)Molar Refractivity: 37.96 cm3; (13)Molar Volume: 156.8 cm3; (14)Polarizability: 15.05×10-24 cm3; (15)Surface Tension: 24.8 dyne/cm; (16)Density: 0.843 g/cm3; (17)Flash Point: 26.6 °C; (18)Enthalpy of Vaporization: 36.75 kJ/mol; (19)Boiling Point: 146.3 °C at 760 mmHg; (20)Vapour Pressure: 5.9 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H16O2/c1-8-6-4-3-5-7-9-2/h3-7H2,1-2H3
(2)InChIKey: NFCBHIFOKVDBCJ-UHFFFAOYAE
(3)Std. InChI: InChI=1S/C7H16O2/c1-8-6-4-3-5-7-9-2/h3-7H2,1-2H3
(4)Std. InChIKey: NFCBHIFOKVDBCJ-UHFFFAOYSA-N