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Propane,1-chloro-3-ethoxy- (36865-38-0)

Identification
Name:Propane,1-chloro-3-ethoxy-
Synonyms:Ether,3-chloropropyl ethyl (6CI,7CI);1-Chloro-3-ethoxypropane;3-Chloropropyl ethylether;3-Ethoxypropyl chloride;
CAS:36865-38-0
Molecular Formula: C5H11ClO
Molecular Weight: 122.59
InChI: InChI=1/C5H11ClO/c1-2-7-5-3-4-6/h2-5H2,1H3
Molecular Structure: (C5H11ClO) Ether,3-chloropropyl ethyl (6CI,7CI);1-Chloro-3-ethoxypropane;3-Chloropropyl ethylether;3-Ethoxyprop...
Properties
Density:0.951 g/cm3
Refractive index:1.408
Specification:

This chemical is called 1-Chloro-3-ethoxypropane, and it can also be named as propane, 1-chloro-3-ethoxy-. With the molecular formula of C5H11ClO, its molecular weight is 122.59. In addition, the CAS registry number of this chemical is 36865-38-0.
 
Other characteristics of the 1-Chloro-3-ethoxypropane can be summarised as followings: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 7.28; (6)ACD/BCF (pH 7.4): 7.28; (7)ACD/KOC (pH 5.5): 144.12; (8)ACD/KOC (pH 7.4): 144.12; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.408; (14)Molar Refractivity: 31.8 cm3; (15)Molar Volume: 128.8 cm3; (16)Polarizability: 12.6×10-24cm3; (17)Surface Tension: 25.3 dyne/cm; (18)Density: 0.951 g/cm3; (19)Flash Point: 41.4 °C; (20)Enthalpy of Vaporization: 34.87 kJ/mol; (21)Boiling Point: 125.9 °C at 760 mmHg; (22)Vapour Pressure: 14.5 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: ClCCCOCC
(2)InChI:InChI=1/C5H11ClO/c1-2-7-5-3-4-6/h2-5H2,1H3
(3)InChIKey: AQVWVFMAJAIJFG-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C5H11ClO/c1-2-7-5-3-4-6/h2-5H2,1H3
(5)Std. InChIKey: AQVWVFMAJAIJFG-UHFFFAOYSA-N

Safety Data
 

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